null

SMILES: CCC(C)c1ncc(\C=C\C(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=TVPIGTRFTZDWSD-MDZDMXLPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176220   

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
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50176220 ((E)-methyl 3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafl...) Show SMILES CCC(C)c1ncc(\C=C\C(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-12,30H,4H2,1-3H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	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))	BDBM50176220 ((E)-methyl 3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafl...) Show SMILES CCC(C)c1ncc(\C=C\C(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-12,30H,4H2,1-3H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+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