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 = 'BDBM50155762'   

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))	BDBM50155762 (CHEMBL3781672) Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)C\C=N\O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C20H35N3O2/c1-14(10-13-22-25)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)23-18(21)24/h13-14,16-17,25H,2,5-12H2,1,3-4H3,(H3,21,23,24)/b22-13+/t14-,16-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lucknow Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay				Bioorg Med Chem Lett 26: 1988-92 (2016) Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147
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