BDBM50039158 10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-7,17-dione::CHEMBL262723

SMILES: CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C

InChI Key: InChIKey=VHDOTNMSJDQVEE-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 = 50039158   

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))	BDBM50039158 (10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydr...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C |c:17,t:15| Show InChI InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	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 Cytochrome P450 19A1 was obtained by 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))	BDBM50039158 (10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydr...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C |c:17,t:15| Show InChI InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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))	BDBM50039158 (10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydr...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C |c:17,t:15| Show InChI InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3	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	1.80E+3	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