BDBM50224540 3,3,3-trifluoro-2-hydroxy-2-(5-(2-(3-hydroxy-2-(methoxycarbonyl)phenoxy)ethoxy)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indol-3-yl)propanoic acid::CHEMBL250567

SMILES: COC(=O)c1c(O)cccc1OCCOc1ccc2n(COCC[Si](C)(C)C)cc(c2c1)C(O)(C(O)=O)C(F)(F)F

InChI Key: InChIKey=DPDZJLPNAAJJNG-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 = 50224540   

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))	BDBM50224540 (3,3,3-trifluoro-2-hydroxy-2-(5-(2-(3-hydroxy-2-(me...) Show SMILES COC(=O)c1c(O)cccc1OCCOc1ccc2n(COCC[Si](C)(C)C)cc(c2c1)C(O)(C(O)=O)C(F)(F)F |w:32.35| Show InChI InChI=1S/C27H32F3NO9Si/c1-37-24(33)23-21(32)6-5-7-22(23)40-11-10-39-17-8-9-20-18(14-17)19(26(36,25(34)35)27(28,29)30)15-31(20)16-38-12-13-41(2,3)4/h5-9,14-15,32,36H,10-13,16H2,1-4H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+5	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