BDBM50190399 3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-propionic acid 1-ethyl-1-methyl-propyl ester::CHEMBL209108

SMILES: CCC(C)(CC)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=RDFDOTFEEZLXTI-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 = 50190399   

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))	BDBM50190399 (3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...) Show SMILES CCC(C)(CC)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:14| Show InChI InChI=1S/C16H22F6N2O5/c1-4-13(3,5-2)28-11(25)6-7-23-12(26)9-8-10(29-24-9)14(27,15(17,18)19)16(20,21)22/h10,27H,4-8H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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