General Information of the Protein
Protein ID
PT01883
Protein Name
Thymidylate synthase
Gene Name
TYMS
Sequence
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
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Organism
Mus musculus, Mouse
Protein Classification
Enzyme
>
Transferase
Function
Catalyzes the reductive methylation of 2'-deoxyuridine 5'-monophosphate (dUMP) to thymidine 5'-monophosphate (dTMP), using the cosubstrate, 5,10- methylenetetrahydrofolate (CH2H4folate) as a 1-carbon donor and reductant and contributes to the de novo mitochondrial thymidylate biosynthesis pathway.
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Uniprot ID
P07607
Ensembl ID
ENSG00000176890
Subcellular Location
Nucleus
Cytoplasm
Mitochondrion
Mitochondrion matrix
Mitochondrion inner membrane
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000266 , L1210
Compound ID Compound Name Compound Formula
CP0683934
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C33H33F4N5O11
 1
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
CP0077456
1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluorouracil
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C9H11FN2O5
 3
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
CP0719695
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-hexanedioic acid TFA
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C34H35F4N5O11
 1
1
IC50 = 0.56 nM
   TI
   LI
   LO
   TS
CP0914242
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
   Show/Hide
C33H34F3N5O11
 1
1
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
CP0920687
(R)-2-((S)-4-Carboxy-4-{2-fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C32H31F4N5O11
 1
1
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
CP0412173
(S)-2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid
   Show/Hide
C30H31N5O9
 1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
CP0453122
(S)-2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-hexanedioic acid
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C31H33N5O9
 1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
CP0847562
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C31H33F4N5O11
 1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
CP0861557
(R)-2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C32H32F3N5O11
 1
1
IC50 = 4.6 nM
   TI
   LI
   LO
   TS
CP0900296
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C31H34F3N5O11
 1
1
IC50 = 4.6 nM
   TI
   LI
   LO
   TS
CP0945051
(R)-2-((S)-4-Carboxy-4-{2-fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C30H31F4N5O11
 1
1
IC50 = 8.8 nM
   TI
   LI
   LO
   TS
CP0880586
(S)-4-((R)-1-Carboxy-ethylcarbamoyl)-2-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid TFA
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C30H30F3N5O9
 1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
CP0448989
(S)-4-((S)-1-Carboxy-ethylcarbamoyl)-2-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
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C28H29N5O7
 1
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
CP0039203
US9422297, PDDF
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C24H23N5O6
 2
1
IC50 = 14 nM
   TI
   LI
   LO
   TS
2
Ki = 20 nM
   TI
   LI
   LO
   TS
CP0916088
(R)-2-((S)-4-Carboxy-4-{4-[ethyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C31H34F3N5O11
 1
1
IC50 = 17 nM
   TI
   LI
   LO
   TS
CP0511400
(S)-4-((S)-1-Carboxy-2-phenyl-ethylcarbamoyl)-2-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
   Show/Hide
C34H33N5O7
 1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
CP0786904
2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid hydrate
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C25H23FN4O6
 1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CP0046656
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
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C24H23N5O6
 1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CP0014938
(5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione
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C4H3FN2O2
 6
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
2
IC50 = 60 nM
   TI
   LI
   LO
   TS
3
IC50 = 220 nM
   TI
   LI
   LO
   TS
4
IC50 = 600 nM
   TI
   LI
   LO
   TS
5
IC50 = 7000 nM
   TI
   LI
   LO
   TS
6
IC50 >= 10000 nM
   TI
   LI
   LO
   TS
CP0431009
2-{4-[(2,4-Dichloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid ; hydrate
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C25H20Cl2FN3O5
 1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CP0895064
(R)-2-((R)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
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C32H32F3N5O11
 1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
CP0885990
2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acidTFA. 0.7 Et2O
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C36H34F3N5O9
 1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
CP0507634
2-(4-{[(2,4-Diamino-quinazolin-6-yl)-methyl-amino]-methyl}-benzoylamino)-pentanedioic acid
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C22H24N6O5
 1
1
IC50 = 33 nM
   TI
   LI
   LO
   TS
CP0897235
(R)-2-((S)-4-Carboxy-4-{4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
   Show/Hide
C30H32F3N5O11
 1
1
IC50 = 34 nM
   TI
   LI
   LO
   TS
CP0907047
(S)-2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
   Show/Hide
C32H32F3N5O11
 1
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
CP0060771
(S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid
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C25H24N4O6
 1
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
CP0897090
2-{4-[(2-Amino-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid hydrochloride hydrate
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C25H23Cl2FN4O5
 1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
CP0372616
(S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyran-2-yl)pyrimidin-2(1H)-one
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C9H7FN2O4
 6
1
IC50 = 63 nM
   TI
   LI
   LO
   TS
2
IC50 = 71 nM
   TI
   LI
   LO
   TS
3
IC50 = 830 nM
   TI
   LI
   LO
   TS
4
IC50 = 950 nM
   TI
   LI
   LO
   TS
5
IC50 = 8100 nM
   TI
   LI
   LO
   TS
6
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CP0493566
2-{4-[(2,4-Dichloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
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C25H21Cl2N3O5
 1
1
IC50 = 64 nM
   TI
   LI
   LO
   TS
CP0409799
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid
   Show/Hide
C26H23ClFN3O5
 1
1
IC50 = 66 nM
   TI
   LI
   LO
   TS
CP0916072
2-{2,6-Difluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid hydrate (H2O)
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C25H22F2N4O6
 1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
CP0416016
2-{4-[(2-Amino-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C25H23ClN4O5
 1
1
IC50 = 96 nM
   TI
   LI
   LO
   TS
CP0497895
2-{4-[(4-Bromo-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H23BrFN3O5
 1
1
IC50 = 96 nM
   TI
   LI
   LO
   TS
CP0880998
2-{4-[(2,4-Diamino-5-chloro-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
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C21H21ClN6O5
 1
1
IC50 = 98 nM
   TI
   LI
   LO
   TS
CP0677498
2-{2-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C23H23FN4O6
 1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
CP0462832
2-{4-[(2-Chloro-4-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H24ClN3O5
 1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
CP0064255
2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H23N5O6
 2
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
2
IC50 = 360 nM
   TI
   LI
   LO
   TS
CP0672452
2-(4-((2,4-diamino-5-methylquinazolin-6-ylamino)methyl)benzamido)pentanedioic acid
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C22H24N6O5
 1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CP0437855
2-{4-[(4-Chloro-2-trifluoromethyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H21ClF3N3O5
 1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CP0505805
2-{4-[(2-Chloro-4-methoxy-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H24ClN3O6
 1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CP0805382
2-(4-((2,4-diamino-5-chloroquinazolin-6-yl)methylamino)benzamido)pentanedioic acid
   Show/Hide
C21H21ClN6O5
 1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
CP0853666
2-(4-{[(2-Amino-4-hydroxy-quinazolin-6-yl)-methyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C22H23N5O6
 1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
CP0686586
2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methylthio)benzamido)pentanedioic acid
   Show/Hide
C21H20N4O6S
 1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
CP0505526
2-{4-[(4-Bromo-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H24BrN3O5
 1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
CP0502410
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H24ClN3O5
 1
1
IC50 = 250 nM
   TI
   LI
   LO
   TS
CP0503649
2-{4-[Allyl-(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
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C24H25N5O6
 1
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
CP0039704
(S)-2-(4-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)benzamido)pentanedioic acid
   Show/Hide
C23H24N4O6
 1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
CP0444084
2-{4-[(2-Amino-4-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H26N4O5
 1
1
IC50 = 350 nM
   TI
   LI
   LO
   TS
CP0372614
5-fluoro-1-[(6S)-5-methylidene-2H-pyran-6-yl]pyrimidine-2,4-dione
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C10H9FN2O3
 5
1
IC50 = 430 nM
   TI
   LI
   LO
   TS
2
IC50 = 2200 nM
   TI
   LI
   LO
   TS
3
IC50 = 8700 nM
   TI
   LI
   LO
   TS
4
IC50 = 9300 nM
   TI
   LI
   LO
   TS
5
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CP0395506
2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
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C21H22N6O5
 1
1
IC50 = 550 nM
   TI
   LI
   LO
   TS
CP0372615
1-[(2S,4S,5R)-4,5-dihydroxy-3-methylideneoxan-2-yl]-5-fluoropyrimidine-2,4-dione
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C10H11FN2O5
 6
1
IC50 = 570 nM
   TI
   LI
   LO
   TS
2
IC50 = 3600 nM
   TI
   LI
   LO
   TS
3
IC50 = 5400 nM
   TI
   LI
   LO
   TS
4
IC50 = 5500 nM
   TI
   LI
   LO
   TS
5
IC50 = 8200 nM
   TI
   LI
   LO
   TS
6
IC50 >= 10000 nM
   TI
   LI
   LO
   TS
CP0434649
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H24N6O5
 1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
CP0920912
2-{2,5-Difluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate (0.5H2O)
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C25H22F2N4O6
 1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
CP0391320
(2S)-2-[[4-[[4-chloro-2-(fluoromethyl)quinolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
   Show/Hide
C26H23ClFN3O5
 1
1
IC50 = 620 nM
   TI
   LI
   LO
   TS
CP0886430
2-(4-{[(2-Amino-4-hydroxy-5-methyl-quinazolin-6-yl)-methyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C23H25N5O6
 1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
CP0427269
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C25H26ClN3O5
 1
1
IC50 = 740 nM
   TI
   LI
   LO
   TS
CP0453649
2-{4-[(2,4-Dimethyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C27H27N3O5
 1
1
IC50 = 800 nM
   TI
   LI
   LO
   TS
CP0947325
2-{2,6-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (1.25H2O)
   Show/Hide
C23H22F2N4O6
 1
1
IC50 = 950 nM
   TI
   LI
   LO
   TS
CP0495172
2-{4-[(4-Chloro-2-ethyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C27H26ClN3O5
 1
1
IC50 = 990 nM
   TI
   LI
   LO
   TS
CP0947321
2-{2,3-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (0.75H2O)
   Show/Hide
C23H22F2N4O6
 1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
CP0527642
2-{4-[(4-Chloro-2-hydroxymethyl-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C25H26ClN3O6
 1
1
IC50 = 1050 nM
   TI
   LI
   LO
   TS
CP0507481
2-{4-[Methyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H22N4O6
 1
1
IC50 = 1060 nM
   TI
   LI
   LO
   TS
CP0899706
2-{2,5-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C23H22F2N4O6
 1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
CP0517114
2-{4-[Allyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C24H24N4O6
 1
1
IC50 = 1120 nM
   TI
   LI
   LO
   TS
CP0917677
2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid; compound with formic acid hydrate
   Show/Hide
C25H26ClN3O7
 1
1
IC50 = 1130 nM
   TI
   LI
   LO
   TS
CP0772248
2-{3-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C23H23FN4O6
 1
1
IC50 = 1140 nM
   TI
   LI
   LO
   TS
CP0903163
2-{4-[(2-Acetylamino-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid TFA with hydrate
   Show/Hide
C29H26ClF3N4O8
 1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS
CP0760762
SID144917
   Show/Hide
C21H21N5O6
 1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS
CP0678039
2-{3-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C25H23FN4O6
 1
1
IC50 = 1430 nM
   TI
   LI
   LO
   TS
CP0440223
2-{4-[(4-Cyano-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C27H24N4O5
 1
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
CP0847326
2-{2,3-Difluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate (2H2O)
   Show/Hide
C25H22F2N4O6
 1
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
CP0440214
2-{4-[(2-Carbamoyl-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H23ClN4O6
 1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
CP0528125
2-{4-[(2-Amino-4-methoxy-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C25H28N4O6
 1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
CP0672453
2-{4-[(2-Amino-4-hydroxy-5-methyl-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H23N5O6
 1
1
IC50 = 2200 nM
   TI
   LI
   LO
   TS
CP0460781
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C24H24ClN3O5
 1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
CP0527743
2-{4-[(2-Chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C25H22ClN3O5
 1
1
IC50 = 2600 nM
   TI
   LI
   LO
   TS
CP0887123
2-(4-{[Allyl-(2,4-diamino-quinazolin-6-yl)-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C24H26N6O5
 1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS
CP0040464
2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C21H21N5O6
 1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS
CP0913490
2-{4-[(2-Amino-5-chloro-4-hydroxy-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
   Show/Hide
C21H20ClN5O6
 1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
CP0867763
2-(4-{[(2,4-Diamino-quinazolin-6-yl)-prop-2-ynyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C24H24N6O5
 1
1
IC50 = 4400 nM
   TI
   LI
   LO
   TS
CP0056680
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C21H22N6O5
 1
1
IC50 = 5000 nM
   TI
   LI
   LO
   TS
CP0502292
2-{4-[(4-Methoxy-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C27H27N3O6
 1
1
IC50 = 6000 nM
   TI
   LI
   LO
   TS
CP0881005
2-(4-{[Allyl-(2-amino-4-hydroxy-quinazolin-6-yl)-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C24H25N5O6
 1
1
IC50 = 6100 nM
   TI
   LI
   LO
   TS
CP0535758
2-{4-[(4-Hydroxy-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H25N3O6
 1
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
CP0469280
2-{4-[(2-Methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H25N3O5
 1
1
IC50 = 7900 nM
   TI
   LI
   LO
   TS
CP0859541
2-(4-{[(2-Amino-4-hydroxy-quinazolin-6-yl)-prop-2-ynyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C24H23N5O6
 1
1
IC50 = 8600 nM
   TI
   LI
   LO
   TS
CP0543962
; hydrate2-{4-[(2-Methyl-4-methylsulfanyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C27H27N3O5S
 1
1
IC50 = 8900 nM
   TI
   LI
   LO
   TS
CP0502698
2-{4-[(4-Chloro-2-methoxy-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H24ClN3O6
 1
1
IC50 = 9000 nM
   TI
   LI
   LO
   TS
CP0080967
2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H21N5O7
 1
1
IC50 = 9800 nM
   TI
   LI
   LO
   TS
CP0163000
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid
   Show/Hide
C22H22N6O6
 1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CP0378548
2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C22H22N6O6
 1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CP0920223
2-(4-{[(2-Amino-4-hydroxy-quinazolin-6-yl)-formyl-amino]-methyl}-benzoylamino)-pentanedioic acid
   Show/Hide
C22H21N5O7
 1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
CP0688707
2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methoxy)benzamido)pentanedioic acid
   Show/Hide
C21H20N4O7
 1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
CP0036197
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
   Show/Hide
C20H22N8O5
 1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
CP0449422
2-{4-[(2-Carboxy-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C26H22ClN3O7
 1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS
CP0441711
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ; hydrate
   Show/Hide
C23H22ClN3O5
 1
1
IC50 = 38000 nM
   TI
   LI
   LO
   TS
CP0506674
(2S)-5-[[(1R)-3-carboxy-1-(2H-tetrazol-5-yl)propyl]amino]-2-[[4-[[(6S)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
   Show/Hide
C32H33N9O7
 1
1
Ki = 0.17 nM
   TI
   LI
   LO
   TS
CP0308127
4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]-2-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
   Show/Hide
C32H33N9O7
 1
1
Ki = 0.2 nM
   TI
   LI
   LO
   TS
CP0891269
(S)-4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]-2-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
   Show/Hide
C32H33N9O7
 1
1
Ki = 0.2 nM
   TI
   LI
   LO
   TS
CP0448847
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-prop-2-ynylamino]pentanedioic acid
   Show/Hide
C34H34FN5O9
 1
1
Ki = 0.21 nM
   TI
   LI
   LO
   TS
CP0359177
2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-4-(1-carboxymethyl-1H-tetrazol-5-yl)-butyric acid
   Show/Hide
C34H35N9O9
 1
1
Ki = 0.26 nM
   TI
   LI
   LO
   TS
CP0402081
(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
   Show/Hide
C32H33N5O9
 1
1
Ki = 0.33 nM
   TI
   LI
   LO
   TS
CP0448997
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-ethylamino]pentanedioic acid
   Show/Hide
C33H36FN5O9
 1
1
Ki = 0.35 nM
   TI
   LI
   LO
   TS
CP0280456
2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid
   Show/Hide
C32H33N5O9
 1
1
Ki = 0.42 nM
   TI
   LI
   LO
   TS
CP0880980
2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid
   Show/Hide
C32H33N5O9
 1
1
Ki = 0.42 nM
   TI
   LI
   LO
   TS
CP0535643
(2S)-2-[[4-[[(6S)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]-5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoic acid
   Show/Hide
C29H29N7O6S
 1
1
Ki = 0.71 nM
   TI
   LI
   LO
   TS
CP0259513
(S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-5-(1H-[1,2,4]triazole-3-sulfonyl)-pentanoic acid
   Show/Hide
C29H29N7O6S
 1
1
Ki = 0.78 nM
   TI
   LI
   LO
   TS
CP0545267
(2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C33H35N5O9
 1
1
Ki = 0.78 nM
   TI
   LI
   LO
   TS
CP0514962
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C32H34FN5O9
 1
1
Ki = 1.1 nM
   TI
   LI
   LO
   TS
CP0394263
(2S)-5-[[(1R)-1-carboxyethyl]amino]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
   Show/Hide
C30H31N5O7
 1
1
Ki = 1.1 nM
   TI
   LI
   LO
   TS
CP0424055
(2S)-4-[2-(carboxymethyl)tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoic acid
   Show/Hide
C29H28N8O6
 1
1
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CP0383747
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
   Show/Hide
C30H31N5O9
 1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
CP0244326
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid; TFA
   Show/Hide
C31H33N5O9
 1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
CP0523970
(2S)-4-[1-(3-carboxypropyl)tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoic acid
   Show/Hide
C31H32N8O6
 1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
CP0449416
(2S)-5-[[(1R)-3-carboxy-1-(2H-tetrazol-5-yl)propyl]amino]-2-[[4-[[(6R)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
   Show/Hide
C32H33N9O7
 1
1
Ki = 2.1 nM
   TI
   LI
   LO
   TS
CP0208036
2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-4-[1-(1H-tetrazol-5-yl)-ethylcarbamoyl]-butyric acid
   Show/Hide
C30H31N9O5
 1
1
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CP0487363
(2S)-4-[1-[2-[[(1R)-1-carboxyethyl]amino]-2-oxoethyl]tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoic acid
   Show/Hide
C32H33N9O7
 1
1
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CP0111571
4-(2-Benzenesulfonylamino-1-methyl-2-oxo-ethylcarbamoyl)-2-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
   Show/Hide
C36H36N6O8S
 1
1
Ki = 2.4 nM
   TI
   LI
   LO
   TS
CP0565389
(2S)-4-[1-(carboxymethyl)tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoic acid
   Show/Hide
C29H28N8O6
 1
1
Ki = 2.4 nM
   TI
   LI
   LO
   TS
CP0460988
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C32H35N5O9
 1
1
Ki = 2.6 nM
   TI
   LI
   LO
   TS
CP0538229
(2S)-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]-5-oxo-5-[[(1R)-1-(2H-tetrazol-5-yl)butyl]amino]pentanoic acid
   Show/Hide
C32H35N9O5
 1
1
Ki = 2.6 nM
   TI
   LI
   LO
   TS
CP0535306
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C30H34FN5O9
 1
1
Ki = 3 nM
   TI
   LI
   LO
   TS
CP0403730
(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6R)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
   Show/Hide
C32H33N5O9
 1
1
Ki = 3.5 nM
   TI
   LI
   LO
   TS
CP0448983
(2S)-2-[[(2S)-4-carboxy-2-[[2-fluoro-4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C31H32FN5O9
 1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
CP0510624
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C30H35N5O9
 1
1
Ki = 8.2 nM
   TI
   LI
   LO
   TS
CP0394523
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoyl]amino]pentanedioic acid
   Show/Hide
C31H33N5O9
 1
1
Ki = 8.6 nM
   TI
   LI
   LO
   TS
CP0376733
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
   Show/Hide
C31H33N5O9
 1
1
Ki = 11 nM
   TI
   LI
   LO
   TS
CP0459333
(2S)-2-[[(2S)-4-carboxy-4-methyl-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoyl]amino]pentanedioic acid
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C32H35N5O9
 1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
CP0063297
(R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
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C9H12FN2O8P
 2
1
Ki = 20 nM
   TI
   LI
   LO
   TS
2
Ki = 30 nM
   TI
   LI
   LO
   TS
CP0457012
(2S)-2-[[(2S)-4-carboxy-2-[[2-fluoro-4-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
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C29H32FN5O9
 1
1
Ki = 23 nM
   TI
   LI
   LO
   TS
CP0457287
1-[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid
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C30H31N5O7
 1
1
Ki = 35 nM
   TI
   LI
   LO
   TS
CP0530002
(4S)-5-(2-carboxypropan-2-ylamino)-4-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
   Show/Hide
C29H31N5O7
 1
1
Ki = 42 nM
   TI
   LI
   LO
   TS
CP0453345
(4S)-5-[carboxymethyl(methyl)amino]-4-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
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C28H29N5O7
 1
1
Ki = 50 nM
   TI
   LI
   LO
   TS
CP0124670
[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
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C9H12ClN2O8P
 2
1
Ki = 150 nM
   TI
   LI
   LO
   TS
2
Ki = 300 nM
   TI
   LI
   LO
   TS
CP0083302
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
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C9H12BrN2O8P
 2
1
Ki = 460 nM
   TI
   LI
   LO
   TS
2
Ki = 1500 nM
   TI
   LI
   LO
   TS
CP0857718
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-fluoropyrimidin-2(1H)-one 5'-monophosphate
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C9H13FN3O8P
 2
1
Ki = 800 nM
   TI
   LI
   LO
   TS
2
Ki = 1400 nM
   TI
   LI
   LO
   TS
CP0673433
((2R,3S,5R)-3-hydroxy-5-(5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate
   Show/Hide
C10H15N2O9P
 2
1
Ki = 900 nM
   TI
   LI
   LO
   TS
2
Ki = 3700 nM
   TI
   LI
   LO
   TS
CP0503592
(2S)-2-[[4-[[(6R)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]-5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoic acid
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C29H29N7O6S
 1
1
Ki = 1200 nM
   TI
   LI
   LO
   TS
CP0723209
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyaminopyrimidin-2(1H)-one 5'-monophosphate
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C9H14N3O8P
 2
1
Ki = 1700 nM
   TI
   LI
   LO
   TS
2
Ki = 9300 nM
   TI
   LI
   LO
   TS
CP0847443
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-hydroxymethylpyrimidin-2(1H)-one 5'-monophosphate
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C10H16N3O9P
 2
1
Ki = 1910 nM
   TI
   LI
   LO
   TS
2
Ki = 2180 nM
   TI
   LI
   LO
   TS
CP0849895
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-iodopyrimidin-2(1H)-one 5'-monophosphate
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C9H13IN3O8P
 2
1
Ki = 5700 nM
   TI
   LI
   LO
   TS
2
Ki = 7460 nM
   TI
   LI
   LO
   TS
CP0124669
[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
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C9H12IN2O8P
 2
1
Ki = 6990 nM
   TI
   LI
   LO
   TS
2
Ki = 7680 nM
   TI
   LI
   LO
   TS
CP0731897
Phosphoric acid mono-[5-(4-amino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
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C8H13N5OS2
 1
1
Ki = 7300 nM
   TI
   LI
   LO
   TS
CP0845706
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-chloropyrimidin-2(1H)-one 5'-monophosphate
   Show/Hide
C9H13ClN3O8P
 2
1
Ki = 8400 nM
   TI
   LI
   LO
   TS
2
Ki = 8500 nM
   TI
   LI
   LO
   TS
CP0849982
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-bromopyrimidin-2(1H)-one 5'-monophosphate
   Show/Hide
C9H13BrN3O8P
 2
1
Ki = 32100 nM
   TI
   LI
   LO
   TS
2
Ki = 36600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
Compound ID Compound Name Compound Formula
CP0039203
US9422297, PDDF
   Show/Hide
C24H23N5O6
 4
1 IC50 = 14 nM
2 IC50 = 20.2 nM
3 IC50 = 50 nM
4 Ki = 4.5 nM
CP0046656
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
   Show/Hide
C24H23N5O6
 3
1 IC50 = 20 nM
2 Ki = 3.4 nM
3 Ki = 1000 nM
CP0786904
2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid hydrate
   Show/Hide
C25H23FN4O6
 1
1 IC50 = 20 nM
CP0060771
(S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid
   Show/Hide
C25H24N4O6
 3
1 IC50 = 40 nM
2 IC50 = 50 nM
3 Ki = 10 nM
CP0677498
2-{2-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C23H23FN4O6
 1
1 IC50 = 120 nM
CP0686586
2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methylthio)benzamido)pentanedioic acid
   Show/Hide
C21H20N4O6S
 1
1 IC50 = 220 nM
CP0039704
(S)-2-(4-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)benzamido)pentanedioic acid
   Show/Hide
C23H24N4O6
 2
1 IC50 = 250 nM
2 IC50 = 300 nM
CP0772248
2-{3-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C23H23FN4O6
 1
1 IC50 = 1140 nM
CP0760762
SID144917
   Show/Hide
C21H21N5O6
 1
1 IC50 = 1300 nM
CP0678039
2-{3-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
   Show/Hide
C25H23FN4O6
 1
1 IC50 = 1430 nM
CP0688707
2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methoxy)benzamido)pentanedioic acid
   Show/Hide
C21H20N4O7
 1
1 IC50 = 12000 nM
CP0036197
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
   Show/Hide
C20H22N8O5
 1
1 IC50 = 20000 nM
CP0719695
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-hexanedioic acid TFA
   Show/Hide
C34H35F4N5O11
 1
1 Ki = 0.12 nM
CP0683934
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-pentanedioic acid TFA
   Show/Hide
C33H33F4N5O11
 1
1 Ki = 0.92 nM