BDBM50435990 GALETERONE::TOK-001::US9611270, galaterone::VN/124::VN/124-1

SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12

InChI Key InChIKey=PAFKTGFSEFKSQG-PAASFTFBSA-N

Data  7 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50435990   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 300nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataEC50:  845nMAssay Description:Displacement of [3H]R1881 from androgen receptor in human LNCAP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataEC50:  405nMAssay Description:Displacement of [3H]R1881 from androgen receptor in human PC3 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataEC50:  670nMAssay Description:Displacement of [3H]R1881 from AR in human LNCaP cells after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 140nMAssay Description:Inhibition of CYP17 (unknown origin)More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 282nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 248nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 28nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progester...More data for this Ligand-Target Pair
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 77nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesteron...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Affinity DataIC50: 752nMAssay Description:Inhibition of human truncated CYP17A1 expressed in Escherichia coliMore data for this Ligand-Target Pair