BDBM50032649 CHEMBL3354670

SMILES: Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=GJOOIZHFPGHQPL-BQYQJAHWSA-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 = 50032649   

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))	BDBM50032649 (CHEMBL3354670) Show SMILES Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C28H22Cl3N3O5/c29-20-6-3-17(13-21(20)30)33-9-11-34(12-10-33)26(38)8-7-23-27(16-1-4-18(35)5-2-16)28(39-32-23)19-14-22(31)25(37)15-24(19)36/h1-8,13-15,35-37H,9-12H2/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+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