Compound ID |
Compound Name |
Compound Formula |
CP0075506
|
2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid
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|
C18H17NO5
|
1
|
1 |
IC50 = 1000 nM
|
|
|
CP0047485
|
(E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phenyl)diazenyl) benzoic acid (A8)
Show/Hide
|
C18H14N4O5S
|
1
|
1 |
IC50 = 1500 nM
|
|
|
CP0106591
|
2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
Show/Hide
|
C16H16N2O3S
|
1
|
1 |
IC50 = 1900 nM
|
|
|
CP0415290
|
Cloprostenol Sodium
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|
C22H28ClNaO6
|
1
|
1 |
IC50 = 1900 nM
|
|
|
CP0322785
|
Aphthasol
Show/Hide
|
C16H14N2O4
|
1
|
1 |
IC50 = 2200 nM
|
|
|
CP0062070
|
(11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid
Show/Hide
|
C20H34O5
|
1
|
1 |
IC50 = 2300 nM
|
|
|
CP0145665
|
8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5-yl)-4-oxo-4H-1-benzopyran
Show/Hide
|
C27H23N5O4
|
1
|
1 |
IC50 = 2700 nM
|
|
|
CP0708144
|
SID50106489
Show/Hide
|
C19H24N2O6
|
1
|
1 |
IC50 = 2700 nM
|
|
|
CP0905968
|
4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine bimesylate
Show/Hide
|
C25H35N7O9S4
|
1
|
1 |
IC50 = 2700 nM
|
|
|
CP0048285
|
(+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid
Show/Hide
|
C15H12ClNO2
|
1
|
1 |
IC50 = 3000 nM
|
|
|
CP0036082
|
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Show/Hide
|
C22H24ClFN4O3
|
1
|
1 |
IC50 = 4600 nM
|
|
|
CP0446809
|
9-NC
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|
C20H15N3O6
|
1
|
1 |
IC50 = 5100 nM
|
|
|
CP0010057
|
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
Show/Hide
|
C19H16ClNO4
|
1
|
1 |
IC50 = 5800 nM
|
|
|
CP0078757
|
(E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid
Show/Hide
|
C26H27ClN2O3S2
|
1
|
1 |
IC50 = 6000 nM
|
|
|
CP0049426
|
ARDF-26
Show/Hide
|
C27H33N3O6S
|
1
|
1 |
IC50 = 6300 nM
|
|
|
CP0103406
|
1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE
Show/Hide
|
C19H12O8
|
1
|
1 |
IC50 = 6400 nM
|
|
|
CP0046223
|
2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Show/Hide
|
C15H13NO3S2
|
1
|
1 |
IC50 = 6500 nM
|
|
|
CP0091627
|
(2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
Show/Hide
|
C14H15N3O5
|
1
|
1 |
IC50 = 6800 nM
|
|
|
CP0019370
|
Ketek
Show/Hide
|
C43H65N5O10
|
1
|
1 |
IC50 = 7100 nM
|
|
|
CP0868799
|
DINOPROST TROMETHAMINE
Show/Hide
|
C24H45NO8
|
1
|
1 |
IC50 = 7100 nM
|
|
|
CP0036977
|
(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione
Show/Hide
|
C20H16N2O4
|
1
|
1 |
IC50 = 7400 nM
|
|
|
CP0047883
|
Amsacrine hydrochloride
Show/Hide
|
C21H19N3O3S
|
1
|
1 |
IC50 = 7430 nM
|
|
|
CP0904581
|
Enfuvirtide acetate
Show/Hide
|
C206H305N51O66
|
1
|
1 |
IC50 = 7500 nM
|
|
|
CP0680292
|
SID50106256
Show/Hide
|
C24H29N5O8S
|
1
|
1 |
IC50 = 8000 nM
|
|
|
CP0895946
|
(-)-3-(3,4-dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate
Show/Hide
|
C10H15NO5
|
1
|
1 |
IC50 = 8080 nM
|
|
|
CP0038097
|
5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide
Show/Hide
|
C21H23N7O2S
|
1
|
1 |
IC50 = 8100 nM
|
|
|
CP0072347
|
Felbinac
Show/Hide
|
C14H12O2
|
1
|
1 |
IC50 = 8200 nM
|
|
|
CP0069487
|
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
Show/Hide
|
C24H40N8O4
|
1
|
1 |
IC50 = 8300 nM
|
|
|
CP0418486
|
TUBOCURARINE
Show/Hide
|
C37H41N2O6+
|
1
|
1 |
IC50 = 9600 nM
|
|
|
CP0480930
|
2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
Show/Hide
|
C15H13NO3
|
1
|
1 |
IC50 = 9800 nM
|
|
|
CP0002800
|
1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea
Show/Hide
|
C23H28ClN3O5S
|
1
|
1 |
IC50 = 10500 nM
|
|
|
CP0207157
|
CHEBI:3485
Show/Hide
|
C14H13N5O5S2
|
1
|
1 |
IC50 = 11600 nM
|
|
|
CP0040528
|
3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid
Show/Hide
|
C18H15NO3
|
1
|
1 |
IC50 = 12000 nM
|
|
|
CP0045344
|
4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide
Show/Hide
|
C31H33N3O6S
|
1
|
1 |
IC50 = 12100 nM
|
|
|
CP0040814
|
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Show/Hide
|
C19H21N5O4
|
1
|
1 |
IC50 = 12500 nM
|
|
|
CP0388282
|
2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulfonamido)phenoxy)-3-methoxyphenyl)acetic acid
Show/Hide
|
C26H26Cl2N2O7S
|
1
|
1 |
IC50 = 13500 nM
|
|
|
CP0046924
|
(5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester
Show/Hide
|
C16H13N3O3
|
1
|
1 |
IC50 = 15500 nM
|
|
|
CP0079838
|
Ansamycin
Show/Hide
|
C46H62N4O11
|
1
|
1 |
IC50 = 15900 nM
|
|
|
CP0072914
|
US20230414632, Compound I-e
Show/Hide
|
C20H24N2O6
|
1
|
1 |
IC50 = 16500 nM
|
|
|
CP0046619
|
Adalat
Show/Hide
|
C17H18N2O6
|
1
|
1 |
IC50 = 16600 nM
|
|
|
CP0060773
|
CHEBI:31401
Show/Hide
|
C20H27N5O2
|
1
|
1 |
IC50 = 16600 nM
|
|
|
CP0068092
|
(3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone
Show/Hide
|
C14H11NO5
|
1
|
1 |
IC50 = 16700 nM
|
|
|
CP0041383
|
(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone
Show/Hide
|
C17H12Br2O3
|
1
|
1 |
IC50 = 17000 nM
|
|
|
CP0001940
|
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Show/Hide
|
C27H29NO11
|
1
|
1 |
IC50 = 19000 nM
|
|
|
CP0020849
|
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Show/Hide
|
C15H10O7
|
1
|
1 |
IC50 = 20800 nM
|
|
|
CP0023829
|
MLS000028500
Show/Hide
|
C8H6N4O5
|
1
|
1 |
IC50 = 20900 nM
|
|
|
CP0005387
|
Avandamet
Show/Hide
|
C18H19N3O3S
|
1
|
1 |
IC50 = 21000 nM
|
|
|
CP0065655
|
4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide
Show/Hide
|
C27H29N5O6S
|
1
|
1 |
IC50 = 22000 nM
|
|
|
CP0041416
|
(6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione
Show/Hide
|
C24H34O4
|
1
|
1 |
IC50 = 22500 nM
|
|
|
CP0078880
|
4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
Show/Hide
|
C30H29ClN6O3
|
1
|
1 |
IC50 = 23000 nM
|
|
|
CP0083432
|
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
Show/Hide
|
C20H21NO4
|
1
|
1 |
IC50 = 23130 nM
|
|
|
CP0001598
|
1,2,3,4-tetrahydro-9-acridinamine
Show/Hide
|
C13H14N2
|
1
|
1 |
IC50 = 23700 nM
|
|
|
CP0752888
|
SID50106035
Show/Hide
|
C16H16N5NaO7S2
|
1
|
1 |
IC50 = 24000 nM
|
|
|
CP0477699
|
Dihydroethaverine
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|
C24H31NO4
|
1
|
1 |
IC50 = 24500 nM
|
|
|
CP0674691
|
SILDENAFIL CITRATE
Show/Hide
|
C28H38N6O11S
|
1
|
1 |
IC50 = 26800 nM
|
|
|
CP0906982
|
ROSUVASTATIN CALCIUM
Show/Hide
|
C44H54CaF2N6O12S2
|
1
|
1 |
IC50 = 26800 nM
|
|
|
CP0005166
|
BMS-354825
Show/Hide
|
C22H26ClN7O2S
|
1
|
1 |
IC50 = 27300 nM
|
|
|
CP0184596
|
CCI-15641
Show/Hide
|
C20H22N4O10S
|
1
|
1 |
IC50 = 28000 nM
|
|
|
CP0080338
|
2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide
Show/Hide
|
C18H15ClN2O6S2
|
1
|
1 |
IC50 = 28400 nM
|
|
|
CP0071410
|
Benicar
Show/Hide
|
C29H30N6O6
|
1
|
1 |
IC50 = 28500 nM
|
|
|
CP0388937
|
RIFAXIMIN
Show/Hide
|
C43H51N3O11
|
1
|
1 |
IC50 = 30200 nM
|
|
|
CP0036175
|
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
Show/Hide
|
C37H48N6O5S2
|
1
|
1 |
IC50 = 34000 nM
|
|
|
CP0697137
|
SID49665951
Show/Hide
|
C22H22ClKN6O
|
1
|
1 |
IC50 = 34100 nM
|
|
|
CP0272476
|
Teniposide
Show/Hide
|
C32H32O13S
|
1
|
1 |
IC50 = 34900 nM
|
|
|
CP0075392
|
Vinblastine
Show/Hide
|
C46H58N4O9
|
1
|
1 |
IC50 = 35100 nM
|
|
|
CP0908001
|
Ceftriaxone sodium
Show/Hide
|
C18H18N8NaO7S3+
|
1
|
1 |
IC50 = 35600 nM
|
|
|
CP0075375
|
CHEBI:45304
Show/Hide
|
C47H64N4O12
|
1
|
1 |
IC50 = 35900 nM
|
|
|
CP0083167
|
4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
Show/Hide
|
C33H30N4O2
|
1
|
1 |
IC50 = 36000 nM
|
|
|
CP0005167
|
CHEBI:49005
Show/Hide
|
C21H15N3O4
|
1
|
1 |
IC50 = 36500 nM
|
|
|
CP0049024
|
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine
Show/Hide
|
C19H25N5O4
|
1
|
1 |
IC50 = 36800 nM
|
|
|
CP0415355
|
AD-32
Show/Hide
|
C34H36F3NO13
|
1
|
1 |
IC50 = 36800 nM
|
|
|
CP0084476
|
BUDESONIDE
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|
C25H34O6
|
1
|
1 |
IC50 = 37000 nM
|
|
|
CP0004106
|
(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one
Show/Hide
|
C28H26N4O3
|
1
|
1 |
IC50 = 37900 nM
|
|
|
CP0447199
|
US8987239, A
Show/Hide
|
C24H30O3
|
1
|
1 |
IC50 = 37900 nM
|
|
|
CP0069705
|
CHEBI:6888
Show/Hide
|
C22H30O5
|
1
|
1 |
IC50 = 40970 nM
|
|
|
CP0071702
|
BA-41166E
Show/Hide
|
C43H58N4O12
|
1
|
1 |
IC50 = 41900 nM
|
|
|
CP0378452
|
[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
Show/Hide
|
C56H87NO16
|
1
|
1 |
IC50 = 44000 nM
|
|
|
CP0161850
|
CLOFAZIMINE
Show/Hide
|
C27H22Cl2N4
|
1
|
1 |
IC50 = 44500 nM
|
|
|
CP0012720
|
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
Show/Hide
|
C14H14ClN3O2S
|
1
|
1 |
IC50 = 44900 nM
|
|
|
CP0034615
|
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
Show/Hide
|
C20H24N2O2
|
1
|
1 |
IC50 = 45800 nM
|
|
|
CP0407285
|
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Show/Hide
|
C22H38O5
|
1
|
1 |
IC50 = 46000 nM
|
|
|
CP0080761
|
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
Show/Hide
|
C37H48N4O5
|
1
|
1 |
IC50 = 47000 nM
|
|
|
CP0338245
|
Acitretin
Show/Hide
|
C21H26O3
|
1
|
1 |
IC50 = 49000 nM
|
|
|
CP0041219
|
Actos
Show/Hide
|
C19H20N2O3S
|
1
|
1 |
IC50 = 49500 nM
|
|
|
CP0043937
|
(17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-androst-1-en-3-one
Show/Hide
|
C23H36N2O2
|
1
|
1 |
IC50 = 51000 nM
|
|
|
CP0132427
|
5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl
Show/Hide
|
C18H15ClN2O2S
|
1
|
1 |
IC50 = 53000 nM
|
|
|
CP0207333
|
(S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid
Show/Hide
|
C27H36N2O4
|
1
|
1 |
IC50 = 53900 nM
|
|
|
CP0220220
|
46083
Show/Hide
|
C14H13N8NaO4S3
|
1
|
1 |
IC50 = 54200 nM
|
|
|
CP0015832
|
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Show/Hide
|
C12H12N2O3
|
1
|
1 |
IC50 = 57500 nM
|
|
|
CP0048327
|
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
Show/Hide
|
C38H50N6O5
|
1
|
1 |
IC50 = 59000 nM
|
|
|
CP0048240
|
BDBM50101974
Show/Hide
|
C24H27NO5S
|
1
|
1 |
IC50 = 61000 nM
|
|
|
CP0020505
|
(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate
Show/Hide
|
C23H24O8
|
1
|
1 |
IC50 = 63200 nM
|
|
|
CP0394294
|
CHEBI:35045
Show/Hide
|
C11H20O2
|
1
|
1 |
IC50 = 63900 nM
|
|
|
CP0076395
|
Amaryl
Show/Hide
|
C24H34N4O5S
|
1
|
1 |
IC50 = 64000 nM
|
|
|
CP0859857
|
Erythromycin Estolate
Show/Hide
|
C49H93NO17S
|
1
|
1 |
IC50 = 68200 nM
|
|
|
CP0005212
|
US8987315, Ketoconazole
Show/Hide
|
C26H28Cl2N4O4
|
1
|
1 |
IC50 = 69000 nM
|
|
|
CP0047918
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1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one
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C25H32ClN5O2
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1
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1 |
IC50 = 71000 nM
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CP0013001
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(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one
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C24H29NO3
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1
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1 |
IC50 = 72900 nM
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CP0866913
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GEMIFLOXACIN MESYLATE
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C19H24FN5O7S
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1
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1 |
IC50 = 73200 nM
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CP0332252
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AL-6221
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C26H35F3O6
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1
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1 |
IC50 = 74000 nM
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CP0072917
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Arzip
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C23H31NO7
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1
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1 |
IC50 = 83000 nM
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CP0041261
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2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
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C25H28N6O
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1
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1 |
IC50 = 83200 nM
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CP0055461
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CHEBI:7550
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C26H29N3O6
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1
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1 |
IC50 = 88000 nM
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CP0391204
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Atorvastatin
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C66H68CaF2N4O10
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1
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1 |
IC50 = 88500 nM
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CP0002102
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Afinitor
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C53H83NO14
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1
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1 |
IC50 = 95000 nM
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CP0010655
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(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide
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C32H45N3O4S
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1
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1 |
IC50 = 97000 nM
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