BDBM26102 5-[2-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2-oxazole-3-carboxylic acid::Isoxazole carboxylic acid, 17
SMILES: CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=CEPJAPVXVMJSMY-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis) | BDBM26102 (5-[2-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]ph...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 850 | -8.19 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of California at Berkeley | Assay Description The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d... | J Am Chem Soc 129: 9613-5 (2007) Article DOI: 10.1021/ja0727520 BindingDB Entry DOI: 10.7270/Q2PG1Q2M | |||||||||||
More data for this Ligand-Target Pair |