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  11 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 8 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/...)
Affinity DataIC50:  300nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore 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/...)
Affinity DataIC50:  752nMAssay Description:Inhibition of human truncated CYP17A1 expressed in Escherichia coliMore 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/...)
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 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
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 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50435990(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
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/...)
Affinity DataIC50:  16nMAssay Description:Inhibition of human recombinant CYP17A1 incubated for 5 mins in presence of NADPH by LC-MS/MS 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/...)
Affinity DataIC50:  3.55E+3nMAssay Description:Inhibition of CYP17AI in human LNCaP cellsMore 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/...)
Affinity DataIC50:  12nMAssay Description:Inhibition of CYP17AI in human 22Rv1 cellsMore data for this Ligand-Target Pair