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 = 'BDBM50505216'   

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))	BDBM50505216 (CHEMBL1935332) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)C1=O Show InChI InChI=1S/C21H14BrN3O3S2/c22-15-8-6-13(7-9-15)19-14(11-25(23-19)16-4-2-1-3-5-16)10-17-20(28)24(12-18(26)27)21(29)30-17/h1-11H,12H2,(H,26,27)/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate				Bioorg Med Chem Lett 29: 1187-1193 (2019) Article DOI: 10.1016/j.bmcl.2019.03.023 BindingDB Entry DOI: 10.7270/Q2CR5XN6
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