BDBM50129085 CHEMBL3334712

SMILES: COc1cc(O)cc2CC(=O)\C=C\CCCCC[C@H](C)OC(=O)c12

InChI Key: InChIKey=KJSCBKPBVNGONE-XOVSCCBYSA-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 = 50129085   

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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50129085 (CHEMBL3334712) Show SMILES COc1cc(O)cc2CC(=O)\C=C\CCCCC[C@H](C)OC(=O)c12 |r,t:11| Show InChI InChI=1S/C19H24O5/c1-13-8-6-4-3-5-7-9-15(20)10-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h7,9,11-13,21H,3-6,8,10H2,1-2H3/b9-7+/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				Bioorg Med Chem 23: 6993-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TNS
					More data for this Ligand-Target Pair