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BDBM50031435 10,13-Dimethyl-4-phenoxy-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL334391

SMILES: CC12CCC3C(CCC4=C(Oc5ccccc5)C(=O)CCC34C)C1CCC2=O

InChI Key: InChIKey=KMBJGBORVZMBPG-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031435   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50031435
PNG
(10,13-Dimethyl-4-phenoxy-1,6,7,8,9,10,11,12,13,14,...)
Show SMILES CC12CCC3C(CCC4=C(Oc5ccccc5)C(=O)CCC34C)C1CCC2=O
Show InChI InChI=1/C25H30O3/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-7,17-19H,8-15H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 530n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 38: 4135-8 (1995)


Article DOI: 10.1021/jm00020a031
BindingDB Entry DOI: 10.7270/Q2WS8S8R
More data for this
Ligand-Target Pair