Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50176179'   

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))	BDBM50176179 (6-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...) Show SMILES CC(C)c1ncc(COCCCCCC#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H25F6N3O2/c1-15(2)19-30-13-18(14-33-12-6-4-3-5-11-29)31(19)17-9-7-16(8-10-17)20(32,21(23,24)25)22(26,27)28/h7-10,13,15,32H,3-6,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human recombinant MCD				Bioorg Med Chem 15: 4470-81 (2007) Article DOI: 10.1016/j.bmc.2007.04.025 BindingDB Entry DOI: 10.7270/Q2KH0N1C
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50176179 (6-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...) Show SMILES CC(C)c1ncc(COCCCCCC#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H25F6N3O2/c1-15(2)19-30-13-18(14-33-12-6-4-3-5-11-29)31(19)17-9-7-16(8-10-17)20(32,21(23,24)25)22(26,27)28/h7-10,13,15,32H,3-6,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human MCD MBP fusion protein				Bioorg Med Chem Lett 16: 695-700 (2005) Article DOI: 10.1016/j.bmcl.2005.10.020 BindingDB Entry DOI: 10.7270/Q2445M11
					More data for this Ligand-Target Pair