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 = 'BDBM50423982'   

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))	BDBM50423982 (GYPENSAPOGENIN A) Show SMILES [#6]\[#6](-[#6])=[#6]-1\[#6]-[#6]=[#6](-[#6@H]-2-[#6]-[#6][C@]3([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]2-[#6]-4=[#6](-[#6]-[#6][C@@]32[#6])C([#6])([#6])[#6@@H]-2-[#6]-[#6]-[#6@H]-4-[#8]-2)-[#6]-1=O |r,c:17,t:5| Show InChI InChI=1S/C30H42O2/c1-17(2)18-7-8-20(27(18)31)19-13-15-29(5)21(19)9-10-23-26-22(14-16-30(23,29)6)28(3,4)25-12-11-24(26)32-25/h8,19,21,23-25H,7,9-16H2,1-6H3/t19-,21-,23-,24-,25+,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 23: 297-300 (2012) Article DOI: 10.1016/j.bmcl.2012.10.097 BindingDB Entry DOI: 10.7270/Q2CJ8FS8
					More data for this Ligand-Target Pair