BDBM50039156 13-Methyl-7,17-dioxo-1,2,3,4,7,8,9,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthrene-10-carbaldehyde::CHEMBL71169

SMILES: CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O

InChI Key: InChIKey=LHDMACWWIQYSTK-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 = 50039156   

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))	BDBM50039156 (13-Methyl-7,17-dioxo-1,2,3,4,7,8,9,11,12,13,14,15,...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O |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/h10-11,13-14,17H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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))	BDBM50039156 (13-Methyl-7,17-dioxo-1,2,3,4,7,8,9,11,12,13,14,15,...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O |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/h10-11,13-14,17H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+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 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))	BDBM50039156 (13-Methyl-7,17-dioxo-1,2,3,4,7,8,9,11,12,13,14,15,...) Show SMILES CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O |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/h10-11,13-14,17H,2-9H2,1H3	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