null

SMILES: CCN(CCC#N)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=WUMLUKPMTBLSQX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183304   

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))	BDBM50183304 (CHEMBL380487 | N-(2-cyanoethyl)-N-ethyl-4-(1,1,1,3...) Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O2/c1-2-23(9-3-8-22)12(24)10-4-6-11(7-5-10)13(25,14(16,17)18)15(19,20)21/h4-7,25H,2-3,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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))	BDBM50183304 (CHEMBL380487 | N-(2-cyanoethyl)-N-ethyl-4-(1,1,1,3...) Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O2/c1-2-23(9-3-8-22)12(24)10-4-6-11(7-5-10)13(25,14(16,17)18)15(19,20)21/h4-7,25H,2-3,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	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
					More data for this Ligand-Target Pair