BDBM50190394 3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-propionic acid ethyl ester::CHEMBL379846

SMILES: CCOC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=QYNJQWNRAKGUSA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190394   

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 (Homo sapiens (Human))	BDBM50190394 (3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...) Show SMILES CCOC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:10| Show InChI InChI=1S/C12H14F6N2O5/c1-2-24-8(21)3-4-19-9(22)6-5-7(25-20-6)10(23,11(13,14)15)12(16,17)18/h7,23H,2-5H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC. Curated by ChEMBL					Assay Description Inhibition of malonyl-coenzyme A decarboxylase				J Med Chem 49: 4055-8 (2006) Article DOI: 10.1021/jm0605029 BindingDB Entry DOI: 10.7270/Q2Q81CQ7
					More data for this Ligand-Target Pair