BDBM50407398 ABIRATERONE ACETATE::CB7630::Zytiga

SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1

InChI Key InChIKey=UVIQSJCZCSLXRZ-UBUQANBQSA-N

Data  2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50407398   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50407398(ABIRATERONE ACETATE | CB7630 | Zytiga)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1
Show InChI InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
Affinity DataIC50: 17nMAssay Description:Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50407398(ABIRATERONE ACETATE | CB7630 | Zytiga)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1
Show InChI InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
Affinity DataEC50:  1.71E+4nMAssay Description:Antagonist activity at full length human androgen receptor expressed in mammalian expression system measured after 22 to 24 hrs by luciferase reporte...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50407398(ABIRATERONE ACETATE | CB7630 | Zytiga)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1
Show InChI InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
Affinity DataIC50: 18nMAssay Description:Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.More data for this Ligand-Target Pair