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 = 'BDBM50376608'   

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))	BDBM50376608 (CHEMBL410332) Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2oc(cc2c1)C(O)=O Show InChI InChI=1S/C27H21N3O8S2/c31-26(32)15-37-21-6-8-22(9-7-21)40(35,36)30(13-17-1-4-19(5-2-17)23-16-39-29-28-23)14-18-3-10-24-20(11-18)12-25(38-24)27(33)34/h1-12,16H,13-15H2,(H,31,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 18: 2719-24 (2008) Article DOI: 10.1016/j.bmcl.2008.03.007 BindingDB Entry DOI: 10.7270/Q23J3DTX
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