Brief Information of the Cell Line and Protein
Cell Line ID: CL000111 , MDA-MB-231
Synonyms
MDA_MB_231
MDA-MB 231
MDA.MB.231
MDA MB 231
MDA MB231
MDA Mb231
MDA-MB231
MDAMB-231
MDAMB231
MDA-231
MDA-231P
MDA231
MDA231-BRE
MB231
MD Anderson-Metastatic Breast-231
Category Cancer cell line
Organism
Homo sapiens (Human)
Cellosaurus ID
CVCL_0062
Protein ID: PT03381 , 5'-nucleotidase
Gene Name NT5E
Organism Homo sapiens, Human
Protein Classification Enzyme
Uniprot ID P21589
Table of Molecular Bioactivities Related to the Cell Line and Protein
Cell Line ID: CL000111  Protein ID: PT03381
 
Compound ID Compound Name Compound Formula
CP0143939
[[(2R,3S,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C11H16IN5O9P2
 1
1
Ki = 3.33 nM
   TI
   LI
   LO
   TS
CP0357536
[[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C10H15FN2O11P2
 1
1
Ki = 4.51 nM
   TI
   LI
   LO
   TS
CP0135871
[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C11H16ClN5O9P2
 1
1
Ki = 4.57 nM
   TI
   LI
   LO
   TS
CP0479758
[[(2R,3S,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C17H21N3O11P2
 1
1
Ki = 5.68 nM
   TI
   LI
   LO
   TS
CP0535394
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(naphthalen-2-ylmethoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C21H25N3O11P2
 1
1
Ki = 6.29 nM
   TI
   LI
   LO
   TS
CP0064631
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(4E)-3-methyl-2-oxo-4-phenylmethoxyiminopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C18H25N3O11P2
 1
1
Ki = 7.96 nM
   TI
   LI
   LO
   TS
CP0434811
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methoxyamino]pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
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C18H22F3N3O10P2
 1
1
Ki = 10.1 nM
   TI
   LI
   LO
   TS
CP0488030
[[(2R,3S,4R,5R)-5-(6-amino-2-hydrazinylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C11H19N7O9P2
 1
1
Ki = 15.4 nM
   TI
   LI
   LO
   TS
CP0434795
[[(2R,3S,4R,5R)-5-[5-fluoro-2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C17H22FN3O11P2
 1
1
Ki = 16.6 nM
   TI
   LI
   LO
   TS
CP0368770
[[(2R,3S,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C11H16ClN5O9P2
 1
1
Ki = 32.2 nM
   TI
   LI
   LO
   TS
CP0426686
[[(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C11H18N6O9P2
 1
1
Ki = 35.7 nM
   TI
   LI
   LO
   TS
CP0064281
[[(2R,3S,4R,5R)-5-[6-amino-2-(2-cyclohexylethylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C19H31N5O9P2S
 1
1
Ki = 49.1 nM
   TI
   LI
   LO
   TS
CP0440395
[[(2R,3S,4R,5R)-5-(6-amino-2-prop-2-enylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C14H21N5O9P2S
 1
1
Ki = 65.4 nM
   TI
   LI
   LO
   TS
CP0136183
ADP, alpha beta-me
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C11H17N5O9P2
 1
1
Ki = 207 nM
   TI
   LI
   LO
   TS
CP0483092
[[(2R,3S,4R,5R)-5-(6-amino-2-piperazin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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C15H25N7O9P2
 1
1
Ki = 238 nM
   TI
   LI
   LO
   TS
CP0240255
PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER
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C11H17N5O10P2
 1
1
Ki = 255 nM
   TI
   LI
   LO
   TS