BDBM50039143 10-Hydroxymethyl-13-methyl-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-7,17-dione::CHEMBL302530

SMILES: CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO

InChI Key: InChIKey=ARFAFOAPBXHFTC-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50039143   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50039143 (10-Hydroxymethyl-13-methyl-1,8,9,10,11,12,13,14,15...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO |c:17,t:15| Show InChI InChI=1S/C19H24O3/c1-18-9-7-14-17(13(18)5-6-16(18)22)15(21)10-12-4-2-3-8-19(12,14)11-20/h2,4,10,13-14,17,20H,3,5-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Time dependent inactivation of aromatase cytochrome P450 19A1 from Kitz-Wilson plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50039143 (10-Hydroxymethyl-13-methyl-1,8,9,10,11,12,13,14,15...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO |c:17,t:15| Show InChI InChI=1S/C19H24O3/c1-18-9-7-14-17(13(18)5-6-16(18)22)15(21)10-12-4-2-3-8-19(12,14)11-20/h2,4,10,13-14,17,20H,3,5-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50039143 (10-Hydroxymethyl-13-methyl-1,8,9,10,11,12,13,14,15...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO |c:17,t:15| Show InChI InChI=1S/C19H24O3/c1-18-9-7-14-17(13(18)5-6-16(18)22)15(21)10-12-4-2-3-8-19(12,14)11-20/h2,4,10,13-14,17,20H,3,5-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description In vitro competetitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair