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.

  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 3 hits for monomerid = 25458   

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
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: >5.00E+3nMAssay Description:Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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: >5.00E+4nMAssay Description:Inhibition of CYP19 in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed