Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50086930'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086930 (2-[4'-(2-Benzyl-5-fluoro-benzofuran-3-yl)-biphenyl...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccc(F)cc12 Show InChI InChI=1S/C36H27FO4/c37-29-17-20-32-31(23-29)35(33(41-32)21-24-7-3-1-4-8-24)28-13-11-26(12-14-28)27-15-18-30(19-16-27)40-34(36(38)39)22-25-9-5-2-6-10-25/h1-20,23,34H,21-22H2,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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
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