BDBM50236554 CHEMBL4105380

SMILES: COc1ccc2OCC(=Cc2c1)C(=O)c1cccc(O)c1O

InChI Key: InChIKey=LQTVYGWOQPHJKJ-UHFFFAOYSA-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 = 50236554   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50236554 (CHEMBL4105380) Show SMILES COc1ccc2OCC(=Cc2c1)C(=O)c1cccc(O)c1O |c:8| Show InChI InChI=1S/C17H14O5/c1-21-12-5-6-15-10(8-12)7-11(9-22-15)16(19)13-3-2-4-14(18)17(13)20/h2-8,18,20H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin-dependent kinase 1-cyclin B				Eur J Med Chem 129: 303-309 (2017) Article DOI: 10.1016/j.ejmech.2017.02.037 BindingDB Entry DOI: 10.7270/Q2P271DZ
					More data for this Ligand-Target Pair