Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50183293'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50183293 (CHEMBL204248 | morpholine-4-carboxylic acid octyl-...) Show SMILES CCCCCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H30F6N2O3/c1-2-3-4-5-6-7-12-30(19(31)29-13-15-33-16-14-29)18-10-8-17(9-11-18)20(32,21(23,24)25)22(26,27)28/h8-11,32H,2-7,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC. Curated by ChEMBL					Assay Description Inhibition of MCD				J Med Chem 49: 1517-25 (2006) Article DOI: 10.1021/jm050109n BindingDB Entry DOI: 10.7270/Q2C828XZ
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