Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'adornato' and Initial = 'i'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzy...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232100 (CHEMBL4061225) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C32H25FN2O4S/c33-26-12-14-27(15-13-26)34-32-35(21-24-6-10-25(11-7-24)31(37)38)30(36)29(40-32)20-23-8-16-28(17-9-23)39-19-18-22-4-2-1-3-5-22/h1-17,20H,18-19,21H2,(H,37,38)/b29-20-,34-32-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232102 (CHEMBL4080177) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C31H23FN2O4S/c32-25-12-14-26(15-13-25)33-31-34(19-22-6-10-24(11-7-22)30(36)37)29(35)28(39-31)18-21-8-16-27(17-9-21)38-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232101 (CHEMBL4098207) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H23FN2O4S/c32-25-13-15-26(16-14-25)33-31-34(19-21-9-11-24(12-10-21)30(36)37)29(35)28(39-31)18-23-7-4-8-27(17-23)38-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-	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
University of Messina Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232103 (CHEMBL4089378) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCCc3ccccc3)c2)cc1 Show InChI InChI=1S/C32H25FN2O4S/c33-26-13-15-27(16-14-26)34-32-35(21-23-9-11-25(12-10-23)31(37)38)30(36)29(40-32)20-24-7-4-8-28(19-24)39-18-17-22-5-2-1-3-6-22/h1-16,19-20H,17-18,21H2,(H,37,38)/b29-20-,34-32-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232093 (CHEMBL4072175) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C30H21FN2O4S/c31-23-13-15-24(16-14-23)32-30-33(19-20-9-11-22(12-10-20)29(35)36)28(34)27(38-30)18-21-5-4-8-26(17-21)37-25-6-2-1-3-7-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506663 (CHEMBL4483785) Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation c...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232094 (CHEMBL4062661) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C30H21FN2O4S/c31-23-12-14-24(15-13-23)32-30-33(19-21-6-10-22(11-7-21)29(35)36)28(34)27(38-30)18-20-8-16-26(17-9-20)37-25-4-2-1-3-5-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506663 (CHEMBL4483785) Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation c...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50334180 (2-(4-oxo-5-(3-phenoxybenzylidene)-2-thioxothiazoli...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-5-4-8-14(9-12)23-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506665 (CHEMBL4554837) Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C20H17NO5S2/c1-25-16-9-14(7-8-15(16)26-12-13-5-3-2-4-6-13)10-17-19(24)21(11-18(22)23)20(27)28-17/h2-10H,11-12H2,1H3,(H,22,23)/b17-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50149769 ((Z)-2-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxo...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-13-6-8-15(9-7-13)24-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,22)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50149743 ((Z)-2-(5-(3-(benzyloxy)benzylidene)-4-oxo-2-thioxo...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C19H15NO4S2/c21-17(22)11-20-18(23)16(26-19(20)25)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50334181 (2-(4-oxo-5-(4-phenoxybenzylidene)-2-thioxothiazoli...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O Show InChI InChI=1S/C18H13NO4S2/c20-16(21)11-19-17(22)15(25-18(19)24)10-12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50016233 (CHEMBL3262475) Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1 Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50334182 (2-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazoli...) Show SMILES COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1 Show InChI InChI=1S/C13H11NO4S2/c1-18-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(19)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506664 (CHEMBL4436037) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-6-8-16(9-7-15)25-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506668 (CHEMBL1384494) Show SMILES OC(=O)CN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C14H11NO3S2/c16-12(17)9-15-13(18)11(20-14(15)19)8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)/b7-4+,11-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50016231 (CHEMBL3262477) Show SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O Show InChI InChI=1S/C15H14N2O6S2/c1-22-9-3-2-8(4-10(9)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50016232 (CHEMBL3262476) Show SMILES NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1 Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50016230 (CHEMBL3262478) Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O Show InChI InChI=1S/C15H14N2O6S2/c1-22-10-4-8(2-3-9(10)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506666 (CHEMBL4455326) Show SMILES COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C20H17NO6S/c1-26-16-9-14(7-8-15(16)27-12-13-5-3-2-4-6-13)10-17-19(24)21(11-18(22)23)20(25)28-17/h2-10H,11-12H2,1H3,(H,22,23)/b17-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506662 (CHEMBL4483615) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-6-8-16(9-7-15)26-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,23)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50284960 (CHEMBL50626 | H3VO4 | Vanadiumsaeure | [VO(OH)3] |...) Show SMILES O[V](O)(O)=O Show InChI InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50506663 (CHEMBL4483785) Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232100 (CHEMBL4061225) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C32H25FN2O4S/c33-26-12-14-27(15-13-26)34-32-35(21-24-6-10-25(11-7-24)31(37)38)30(36)29(40-32)20-23-8-16-28(17-9-23)39-19-18-22-4-2-1-3-5-22/h1-17,20H,18-19,21H2,(H,37,38)/b29-20-,34-32-	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232095 (CHEMBL4081501) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1 Show InChI InChI=1S/C26H21NO4S2/c28-24-23(33-26(32)27(24)17-19-9-11-21(12-10-19)25(29)30)16-20-7-4-8-22(15-20)31-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,29,30)/b23-16-	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232102 (CHEMBL4080177) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C31H23FN2O4S/c32-25-12-14-26(15-13-25)33-31-34(19-22-6-10-24(11-7-22)30(36)37)29(35)28(39-31)18-21-8-16-27(17-9-21)38-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232096 (CHEMBL4099520) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C26H21NO4S2/c28-24-23(33-26(32)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)31-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-	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 Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232101 (CHEMBL4098207) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H23FN2O4S/c32-25-13-15-26(16-14-25)33-31-34(19-21-9-11-24(12-10-21)30(36)37)29(35)28(39-31)18-23-7-4-8-27(17-23)38-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232097 (CHEMBL4091784) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C25H19NO4S2/c27-23-22(32-25(31)26(23)15-18-6-10-20(11-7-18)24(28)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,28,29)/b22-14-	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232094 (CHEMBL4062661) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C30H21FN2O4S/c31-23-12-14-24(15-13-23)32-30-33(19-21-6-10-22(11-7-21)29(35)36)28(34)27(38-30)18-20-8-16-26(17-9-20)37-25-4-2-1-3-5-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-	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	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232104 (CHEMBL4070916) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 Show InChI InChI=1S/C25H19NO4S2/c27-23-22(32-25(31)26(23)15-17-9-11-20(12-10-17)24(28)29)14-19-7-4-8-21(13-19)30-16-18-5-2-1-3-6-18/h1-14H,15-16H2,(H,28,29)/b22-14-	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232098 (CHEMBL4097088) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 Show InChI InChI=1S/C24H17NO4S2/c26-22-21(14-17-5-4-8-20(13-17)29-19-6-2-1-3-7-19)31-24(30)25(22)15-16-9-11-18(12-10-16)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-	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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232093 (CHEMBL4072175) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C30H21FN2O4S/c31-23-13-15-24(16-14-23)32-30-33(19-20-9-11-22(12-10-20)29(35)36)28(34)27(38-30)18-21-5-4-8-26(17-21)37-25-6-2-1-3-7-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232099 (CHEMBL4069888) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C24H17NO4S2/c26-22-21(14-16-8-12-20(13-9-16)29-19-4-2-1-3-5-19)31-24(30)25(22)15-17-6-10-18(11-7-17)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-	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	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506663 (CHEMBL4483785) Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CC(O)=O)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H22N2O5S/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)15-23-25(31)28(16-24(29)30)26(34-23)27-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,29,30)/b23-15-,27-26-	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	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506667 (CHEMBL4448571) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO5S/c22-18(23)13-21-19(24)17(27-20(21)25)12-15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	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	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50232103 (CHEMBL4089378) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCCc3ccccc3)c2)cc1 Show InChI InChI=1S/C32H25FN2O4S/c33-26-13-15-27(16-14-26)34-32-35(21-23-9-11-25(12-10-23)31(37)38)30(36)29(40-32)20-24-7-4-8-28(19-24)39-18-17-22-5-2-1-3-6-22/h1-16,19-20H,17-18,21H2,(H,37,38)/b29-20-,34-32-	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	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method				Eur J Med Chem 127: 840-858 (2017) Article DOI: 10.1016/j.ejmech.2016.10.063 BindingDB Entry DOI: 10.7270/Q21J9D18
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50506669 (CHEMBL4459307) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCc3ccccc3)c2)C1=O Show InChI InChI=1S/C20H17NO4S2/c22-18(23)13-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12-	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	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate				Bioorg Med Chem Lett 28: 3712-3720 (2018) Article DOI: 10.1016/j.bmcl.2018.10.024 BindingDB Entry DOI: 10.7270/Q2QJ7MKC
					More data for this Ligand-Target Pair

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