Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50176201'   

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))	BDBM50176201 (1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...) Show SMILES CCC(C)c1ncc(C(O)C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H24F6N2O2/c1-5-12(4)17-27-10-15(16(29)11(2)3)28(17)14-8-6-13(7-9-14)18(30,19(21,22)23)20(24,25)26/h6-12,16,29-30H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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))	BDBM50176201 (1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...) Show SMILES CCC(C)c1ncc(C(O)C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H24F6N2O2/c1-5-12(4)17-27-10-15(16(29)11(2)3)28(17)14-8-6-13(7-9-14)18(30,19(21,22)23)20(24,25)26/h6-12,16,29-30H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	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