new BindingDB logo
myBDB logout

BDBM50061154 (S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL109211

SMILES: CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O

InChI Key: InChIKey=ZDNIEANTSDNRKV-OYIOTATGSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50061154   
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))
BDBM50061154
PNG
((S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50061154
PNG
((S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 275n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair