BDBM50224537 2-(3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-4-phenethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid::CHEMBL399236

SMILES: Cc1nc(sc1CCOc1cc(ccc1OCCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1

InChI Key: InChIKey=XNNIOBJKRYGVIG-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 = 50224537   

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 1B (Homo sapiens (Human))	BDBM50224537 (2-(3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)e...) Show SMILES Cc1nc(sc1CCOc1cc(ccc1OCCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1 |w:24.27| Show InChI InChI=1S/C29H25ClF3NO5S/c1-18-25(40-26(34-18)20-7-10-22(30)11-8-20)14-16-39-24-17-21(28(37,27(35)36)29(31,32)33)9-12-23(24)38-15-13-19-5-3-2-4-6-19/h2-12,17,37H,13-16H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Sf9 cells				Bioorg Med Chem Lett 17: 6579-83 (2007) Article DOI: 10.1016/j.bmcl.2007.09.069 BindingDB Entry DOI: 10.7270/Q2W37W1K
					More data for this Ligand-Target Pair