BDBM314740 US9611270, Example 42

SMILES C[C@]12CC[C@H]3[C@@H](CC(C(N)=O)=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1

InChI Key InChIKey=CPGOQTKJUPLDPD-ACAUBTHISA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 314740   

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

US Patent
LigandPNGBDBM314740(US9611270, Example 42)
Affinity DataIC50:  120nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM314740(US9611270, Example 42)
Affinity DataIC50:  23nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM314740(US9611270, Example 42)
Affinity DataIC50:  673nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM314740(US9611270, Example 42)
Affinity DataIC50:  8nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent