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 = 'BDBM50320932'   

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))	BDBM50320932 ((3S,5S)-3-hydroxy-5-(2-methylprop-1-enyl)-3-((5R,8...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](=O)-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H44O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-23,32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22+,23+,27+,28+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP hydrolase assay				Bioorg Med Chem 18: 3934-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.073 BindingDB Entry DOI: 10.7270/Q21C1X25
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