Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'paoli' and Initial = 'p'   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50256796 (6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by competitive inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50256796 (6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by competitive inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					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))	BDBM50444695 (CHEMBL3098852) Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1 Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...				Eur J Med Chem 71: 112-27 (2014) Article DOI: 10.1016/j.ejmech.2013.11.001 BindingDB Entry DOI: 10.7270/Q2VH5Q95
					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))	BDBM50379825 (CHEMBL2011701) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50444693 (CHEMBL3098944) Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1 Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Noncompetitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal...				Eur J Med Chem 71: 112-27 (2014) Article DOI: 10.1016/j.ejmech.2013.11.001 BindingDB Entry DOI: 10.7270/Q2VH5Q95
					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))	BDBM50444694 (CHEMBL3098854) Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1 Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-	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 type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...				Eur J Med Chem 71: 112-27 (2014) Article DOI: 10.1016/j.ejmech.2013.11.001 BindingDB Entry DOI: 10.7270/Q2VH5Q95
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50444692 (CHEMBL3098853) Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1 Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-	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 Competitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal pl...				Eur J Med Chem 71: 112-27 (2014) Article DOI: 10.1016/j.ejmech.2013.11.001 BindingDB Entry DOI: 10.7270/Q2VH5Q95
					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))	BDBM50102746 (CHEMBL3343062) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccccc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C39H54O4/c1-34(2)21-23-39(33(41)42)24-22-37(6)27(28(39)25-34)14-15-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)43-32(40)16-13-26-11-9-8-10-12-26/h8-14,16,28-31H,15,17-25H2,1-7H3,(H,41,42)/b16-13+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del estado de Morelos Curated by ChEMBL					Assay Description Mixed-type inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method				Eur J Med Chem 87: 316-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.036 BindingDB Entry DOI: 10.7270/Q2DB83NK
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50257418 (7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					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))	BDBM50444696 (CHEMBL3098942) Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/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	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 type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...				Eur J Med Chem 71: 112-27 (2014) Article DOI: 10.1016/j.ejmech.2013.11.001 BindingDB Entry DOI: 10.7270/Q2VH5Q95
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50257294 (7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50257418 (7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50158368 (CHEMBL3787288) Show SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(=O)OC |r,t:34| Show InChI InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h19-20,22-23H,9-18H2,1-8H3/t20-,22+,23-,28+,29-,30-,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate by Lineweaver-Burk pl...				Bioorg Med Chem Lett 26: 2018-22 (2016) Article DOI: 10.1016/j.bmcl.2016.02.082 BindingDB Entry DOI: 10.7270/Q20Z7557
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| 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 CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate				Eur J Med Chem 46: 2243-51 (2011) Article DOI: 10.1016/j.ejmech.2011.03.005 BindingDB Entry DOI: 10.7270/Q2FT8N4M
					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))	BDBM50102748 (CHEMBL3343064) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C32H52O3/c1-9-35-25-13-14-29(6)23(28(25,4)5)12-15-31(8)24(29)11-10-21-22-20-27(2,3)16-18-32(22,26(33)34)19-17-30(21,31)7/h10,22-25H,9,11-20H2,1-8H3,(H,33,34)/t22-,23-,24+,25-,29-,30+,31+,32-/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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del estado de Morelos Curated by ChEMBL					Assay Description Non-competitive inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method				Eur J Med Chem 87: 316-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.036 BindingDB Entry DOI: 10.7270/Q2DB83NK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate				Eur J Med Chem 46: 2243-51 (2011) Article DOI: 10.1016/j.ejmech.2011.03.005 BindingDB Entry DOI: 10.7270/Q2FT8N4M
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del estado de Morelos Curated by ChEMBL					Assay Description Mixed-type inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method				Eur J Med Chem 87: 316-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.036 BindingDB Entry DOI: 10.7270/Q2DB83NK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50385306 (CHEMBL2002784) Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1 Show InChI InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...				Eur J Med Chem 53: 346-55 (2012) Article DOI: 10.1016/j.ejmech.2012.04.025 BindingDB Entry DOI: 10.7270/Q2KP836R
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50391854 (CHEMBL463665) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |r,c:32| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate				Eur J Med Chem 46: 2243-51 (2011) Article DOI: 10.1016/j.ejmech.2011.03.005 BindingDB Entry DOI: 10.7270/Q2FT8N4M
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50241428 (CHEMBL401612 | N-(6-Methyl-1,3-benzothiazol-2-yl)-...) Show SMILES Cc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C14H11N3O4S2/c1-9-2-7-12-13(8-9)22-14(15-12)16-23(20,21)11-5-3-10(4-6-11)17(18)19/h2-8H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50257294 (7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50385307 (CHEMBL2035961) Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C11H9ClN2O3S/c1-2-17-10(16)9(15)14-11-13-7-4-3-6(12)5-8(7)18-11/h3-5H,2H2,1H3,(H,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...				Eur J Med Chem 53: 346-55 (2012) Article DOI: 10.1016/j.ejmech.2012.04.025 BindingDB Entry DOI: 10.7270/Q2KP836R
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50385308 (CHEMBL2035962) Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(F)cc2s1 Show InChI InChI=1S/C11H9FN2O3S/c1-2-17-10(16)9(15)14-11-13-7-4-3-6(12)5-8(7)18-11/h3-5H,2H2,1H3,(H,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...				Eur J Med Chem 53: 346-55 (2012) Article DOI: 10.1016/j.ejmech.2012.04.025 BindingDB Entry DOI: 10.7270/Q2KP836R
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM54263 ((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |c:32| Show InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate				Eur J Med Chem 46: 2243-51 (2011) Article DOI: 10.1016/j.ejmech.2011.03.005 BindingDB Entry DOI: 10.7270/Q2FT8N4M
					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))	BDBM50241429 (CHEMBL401525 | N-(6-Ethoxy-1,3-benzothiazol-2-yl)-...) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1 Show InChI InChI=1S/C15H13N3O5S2/c1-2-23-11-5-8-13-14(9-11)24-15(16-13)17-25(21,22)12-6-3-10(4-7-12)18(19)20/h3-9H,2H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autónoma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis				Bioorg Med Chem 17: 3332-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.042 BindingDB Entry DOI: 10.7270/Q2JQ10X9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50257294 (7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and R.E. Curated by ChEMBL					Assay Description Inhibition of human cloned PTP1B expressed in Escherichia coli TB1 by mixed type inhibition assay				Bioorg Med Chem 17: 2658-72 (2009) Article DOI: 10.1016/j.bmc.2009.02.060 BindingDB Entry DOI: 10.7270/Q2K0745F
					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

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