BDBM50129083 CHEMBL3628303

SMILES: [H][C@]12C\C=C\C3=CC(OC)=CC(O)C3C(=O)O[C@@H](C)CC(CC(=O)[C@H]1O)O2

InChI Key: InChIKey=KIBJDJJXGWIFNI-AEHVWFIESA-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 = 50129083   

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))	BDBM50129083 (CHEMBL3628303) Show SMILES [H][C@]12C\C=C\C3=CC(OC)=CC(O)C3C(=O)O[C@@H](C)CC(CC(=O)[C@H]1O)O2 |r,c:9,t:3,5| Show InChI InChI=1S/C19H24O7/c1-10-6-13-9-15(21)18(22)16(26-13)5-3-4-11-7-12(24-2)8-14(20)17(11)19(23)25-10/h3-4,7-8,10,13-14,16-18,20,22H,5-6,9H2,1-2H3/b4-3+/t10-,13?,14?,16-,17?,18+/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