BDBM50422492 CHEMBL143192

SMILES: CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@H]2C(O)=O

InChI Key: InChIKey=YQACAXHKQZCEOI-WYPXZBDTSA-N

Data: 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 1 hit for monomerid = 50422492   

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
Constitutive androstane receptor (Mus musculus)	BDBM50422492 (CHEMBL143192) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@H]2C(O)=O |t:8| Show InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14?,15?,16?,17-,19?,20?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against mouse constitutive androstane receptor (mCAR) activity was determined as pIC50				J Med Chem 46: 4687-95 (2003) Article DOI: 10.1021/jm030861t BindingDB Entry DOI: 10.7270/Q2HX1DFR
					More data for this Ligand-Target Pair