BDBM50020645 2,4b-Dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-decahydro-phenanthrene-2-carbaldehyde::CHEMBL158600

SMILES: CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C=O

InChI Key: InChIKey=XFDLZKMDVPATED-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50020645   

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))	BDBM50020645 (2,4b-Dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-decah...) Show SMILES CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C=O |c:12,t:8| Show InChI InChI=1S/C17H22O2/c1-16(11-18)7-6-15-12(10-16)3-4-13-9-14(19)5-8-17(13,15)2/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) of human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair