Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 8365   

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))	BDBM243059 (PTP inhibitor, 4k) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2	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	2.37E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243055 (PTP inhibitor, 4g) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H10Cl2O4/c16-7-1-2-9(10(17)3-7)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,18-19H,6H2	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	2.40E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243051 (PTP inhibitor, 4c) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C15H11FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	2.66E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM23197 ((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...) Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243058 (PTP inhibitor, 4j) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H11BrO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	3.48E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243054 (PTP inhibitor, 4f) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	3.60E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243053 (PTP inhibitor, 4e) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	4.18E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243056 (PTP inhibitor, 4h) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1Br Show InChI InChI=1S/C15H11BrO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	4.90E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243057 (PTP inhibitor, 4i) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Br)c1 Show InChI InChI=1S/C15H11BrO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	7.33E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243050 (PTP inhibitor, 4b) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(F)c1 Show InChI InChI=1S/C15H11FO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	7.98E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM243059 (PTP inhibitor, 4k) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.54E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM243059 (PTP inhibitor, 4k) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.82E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243049 (PTP inhibitor, 4a) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1F Show InChI InChI=1S/C15H11FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	9.06E+3	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243052 (PTP inhibitor, 4d) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1Cl Show InChI InChI=1S/C15H11ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2	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	1.02E+4	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243062 (PTP inhibitor, 4n) Show SMILES COc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 Show InChI InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243061 (PTP inhibitor, 4m) Show SMILES Cc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 Show InChI InChI=1S/C16H14O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-7,14,17-18H,8H2,1H3	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	1.41E+4	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM243060 (PTP inhibitor, 4l) Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	6.5	30
Yanbian University College of Pharmacy					Assay Description Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...				J Enzyme Inhib Med Chem 28: 1199-204 (2013) Article DOI: 10.3109/14756366.2012.723206 BindingDB Entry DOI: 10.7270/Q2668C3G
					More data for this Ligand-Target Pair