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 = 'BDBM50211930'   

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))	BDBM50211930 (4-(5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl...) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O Show InChI InChI=1S/C23H18ClN3O3S2/c24-17-10-8-15(9-11-17)21-16(14-27(25-21)18-5-2-1-3-6-18)13-19-22(30)26(23(31)32-19)12-4-7-20(28)29/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,28,29)/b19-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	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
					More data for this Ligand-Target Pair