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 = 'BDBM50479038'   

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))	BDBM50479038 (Lingshuiperoxide) Show SMILES [H][C@]12OO[C@](C)(C=C1)[C@@](C)(CCC1=CC(O)OC1=O)[C@@H]2C |r,c:6,t:13| Show InChI InChI=1S/C15H20O5/c1-9-11-5-7-15(3,20-19-11)14(9,2)6-4-10-8-12(16)18-13(10)17/h5,7-9,11-12,16H,4,6H2,1-3H3/t9-,11+,12?,14+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				J Nat Prod 71: 1399-403 (2008) Article DOI: 10.1021/np8002035 BindingDB Entry DOI: 10.7270/Q2VT1VW1
					More data for this Ligand-Target Pair