BDBM50190410 CHEMBL378459::tert-butyl-(3R)-3-{[(5R)-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-butanoate

SMILES: C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=SBPVPWWNQIKSKL-VXNVDRBHSA-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 = 50190410   

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))	BDBM50190410 (CHEMBL378459 | tert-butyl-(3R)-3-{[(5R)-5-(2,2,2-t...) Show SMILES C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F |t:13| Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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