BDBM25458 (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol::ABT::Abiraterone::CB 7598::CHEMBL254328::US9487554, Abiraterone::US9611270, Example 5, abiraterone

SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

InChI Key InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N

Data  48 IC50

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25458   

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

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  4nMAssay Description:Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.More data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  4nMAssay Description:Inhibition of human progesterone 17-alpha-hydroxylase.More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.90nMAssay Description:Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.More data for this Ligand-Target Pair