Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50186063'   

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))	BDBM50186063 (CHEMBL210650 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...) Show SMILES CC(C)C(=O)N(Cc1nccn1C)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H16F6N4O2S/c1-8(2)11(26)25(7-10-22-4-5-24(10)3)12-23-6-9(28-12)13(27,14(16,17)18)15(19,20)21/h4-6,8,27H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma LLC. Curated by ChEMBL					Assay Description Inhibition of MCD				Bioorg Med Chem Lett 16: 3484-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.100 BindingDB Entry DOI: 10.7270/Q2FJ2GCN
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