BDBM50086939 2-{4'-[2-(3,4-Dimethoxy-benzyl)-benzo[b]thiophen-3-yl]-biphenyl-4-yloxy}-3-phenyl-propionic acid::CHEMBL280141

SMILES: COc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(OC(Cc3ccccc3)C(O)=O)cc2)cc1OC

InChI Key: InChIKey=HQVKTDGYKXAHDS-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 = 50086939   

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))	BDBM50086939 (2-{4'-[2-(3,4-Dimethoxy-benzyl)-benzo[b]thiophen-3...) Show SMILES COc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(OC(Cc3ccccc3)C(O)=O)cc2)cc1OC Show InChI InChI=1S/C38H32O5S/c1-41-32-21-12-26(23-33(32)42-2)24-36-37(31-10-6-7-11-35(31)44-36)29-15-13-27(14-16-29)28-17-19-30(20-18-28)43-34(38(39)40)22-25-8-4-3-5-9-25/h3-21,23,34H,22,24H2,1-2H3,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair