BDBM91718 Androst-1,4-dien-3,17-dione, 7

SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O

InChI Key InChIKey=LUJVUUWNAPIQQI-QAGGRKNESA-N

Data  3 KI  1 IC50

PDB links: 4 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 4 hits for monomerid = 91718   

TargetAromatase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM91718(Androst-1,4-dien-3,17-dione, 7)
Affinity DataKi:  120nMAssay Description:Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM91718(Androst-1,4-dien-3,17-dione, 7)
Affinity DataKi:  260nMAssay Description:Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM91718(Androst-1,4-dien-3,17-dione, 7)
Affinity DataKi:  320nMAssay Description:Binding affinity was measured on Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
University of Jordan

LigandPNGBDBM91718(Androst-1,4-dien-3,17-dione, 7)
Affinity DataIC50:  1.03E+5nMAssay Description:AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed