BDBM50190402 CHEMBL208772::{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-acetic acid ethyl ester
SMILES: CCOC(=O)CNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=YBEHPAMVUHRZNF-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50190402 (CHEMBL208772 | {[5-(2,2,2-trifluoro-1-hydroxy-1-tr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.77E+3 | 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 |