BDBM50032656 CHEMBL3354664

SMILES: COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)noc1-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=DOFOHLIDQOVGDS-MDZDMXLPSA-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 = 50032656   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50032656 (CHEMBL3354664) Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C30H25ClF3N3O5/c1-41-21-7-5-18(6-8-21)28-24(35-42-29(28)22-16-23(31)26(39)17-25(22)38)9-10-27(40)37-13-11-36(12-14-37)20-4-2-3-19(15-20)30(32,33)34/h2-10,15-17,38-39H,11-14H2,1H3/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA				J Med Chem 57: 9832-43 (2014) Article DOI: 10.1021/jm5010144 BindingDB Entry DOI: 10.7270/Q2P270R1
					More data for this Ligand-Target Pair