Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50374277'   

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))	BDBM50374277 (CHEMBL403094) Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13 Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B by Lineweaver-Burke plot				Bioorg Med Chem Lett 18: 772-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.036 BindingDB Entry DOI: 10.7270/Q25B03BB
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50374277 (CHEMBL403094) Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13 Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of GST-tagged human PTP1B expressed in Escherichia coli using pNPP substrate assessed as reduction in p-nitrophenol release				J Nat Prod 79: 1063-72 (2016) Article DOI: 10.1021/acs.jnatprod.5b01128 BindingDB Entry DOI: 10.7270/Q2Z89GXC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50374277 (CHEMBL403094) Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13 Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				Bioorg Med Chem Lett 18: 772-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.036 BindingDB Entry DOI: 10.7270/Q25B03BB
					More data for this Ligand-Target Pair