Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1 [1-298]' and Ligand = 'BDBM13479'   

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 [1-298] (Homo sapiens (Human))	BDBM13479 ((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...) Show SMILES Fc1cc(Cl)cc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r| Show InChI InChI=1S/C25H19ClFN5O3S2/c26-15-10-16(27)23-20(11-15)36-25(31-23)30-19(24-28-17-3-1-2-4-18(17)29-24)9-13-5-7-14(8-6-13)21-12-22(33)32-37(21,34)35/h1-8,10-11,19,21H,9,12H2,(H,28,29)(H,30,31)(H,32,33)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
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