Compile Data Set for Download or QSAR

Found 1019 hits of ki for UniProtKB: P18031   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50219599 (5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phen...) Show SMILES OC(=O)COc1c(Cl)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25ClN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO Show InChI InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219588 (4-bromo-3-(carboxymethoxy)-5-(3-{[1-({2-[(methylsu...) Show SMILES CS(=O)(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H28BrN3O9S3/c1-41(35,36)29-20-8-3-2-5-17(20)15-42(37,38)30-11-9-18(10-12-30)28-19-7-4-6-16(13-19)24-22(27)23(39-14-21(31)32)25(40-24)26(33)34/h2-8,13,18,28-29H,9-12,14-15H2,1H3,(H,31,32)(H,33,34)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50500145 (CHEMBL1235987) Show SMILES NC(=O)[C@@H](CS)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C32H41F4N5O13P2S/c33-31(34,55(49,50)51)20-9-5-18(6-10-20)14-22(29(47)38-13-3-1-2-4-25(42)40-24(17-57)28(37)46)41-30(48)23(16-27(44)45)39-26(43)15-19-7-11-21(12-8-19)32(35,36)56(52,53)54/h5-12,22-24,57H,1-4,13-17H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,42)(H,41,48)(H,44,45)(H2,49,50,51)(H2,52,53,54)/t22-,23+,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				J Med Chem 58: 9063-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00586 BindingDB Entry DOI: 10.7270/Q24T6NC6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13469 (({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qilu University of Technology Curated by ChEMBL					Assay Description Inhibition of human PTP1B catalytic domain expressed in Escherichia coli assessed as pNPP hydrolysis measured every 30 secs for 15 mins				Bioorg Med Chem 23: 4891-8 (2015) Article DOI: 10.1016/j.bmc.2015.05.032 BindingDB Entry DOI: 10.7270/Q28917N0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219577 (5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}a...) Show SMILES Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C25H26BrN3O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14,27H2,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219584 (5-{3-[(1-{[2-(acetylamino)benzyl]sulfonyl}piperidi...) Show SMILES CC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H28BrN3O8S2/c1-16(32)29-21-8-3-2-5-18(21)15-41(37,38)31-11-9-19(10-12-31)30-20-7-4-6-17(13-20)25-23(28)24(39-14-22(33)34)26(40-25)27(35)36/h2-8,13,19,30H,9-12,14-15H2,1H3,(H,29,32)(H,33,34)(H,35,36)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13996 (4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N Show InChI InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in human HepG2 cells				J Med Chem 50: 856-64 (2007) Article DOI: 10.1021/jm061146x BindingDB Entry DOI: 10.7270/Q2B857SK
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against protein-tyrosine phosphatase 1B (PTP 1B) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50612100 (CHEMBL5279725) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate by spec...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00249 BindingDB Entry DOI: 10.7270/Q2736VH5
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 29: 2358-2363 (2019) Article DOI: 10.1016/j.bmcl.2019.06.011 BindingDB Entry DOI: 10.7270/Q2280C4B
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 18: 1773-82 (2010) Article DOI: 10.1016/j.bmc.2010.01.055 BindingDB Entry DOI: 10.7270/Q2X06811
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50379185 (CHEMBL1232859) Show SMILES N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after 2 to 3 min...				Bioorg Med Chem Lett 27: 2166-2170 (2017) Article DOI: 10.1016/j.bmcl.2017.03.060 BindingDB Entry DOI: 10.7270/Q2FR0024
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219585 (4-bromo-3-carboxymethoxy-5-(3-{[1-(2-methoxyphenyl...) Show SMILES COc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O7S/c1-37-20-8-3-2-7-19(20)30-27(36)31-11-9-16(10-12-31)14-29-18-6-4-5-17(13-18)24-22(28)23(38-15-21(32)33)25(39-24)26(34)35/h2-8,13,16,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219569 (4-bromo-3-carboxymethoxy-5-(3-{[1-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C28H30BrN3O6S/c1-16-5-3-6-17(2)23(16)31-28(37)32-11-9-18(10-12-32)14-30-20-8-4-7-19(13-20)25-22(29)24(38-15-21(33)34)26(39-25)27(35)36/h3-8,13,18,30H,9-12,14-15H2,1-2H3,(H,31,37)(H,33,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219570 (4-bromo-3-carboxymethoxy-5-{3-[(1-o-tolylcarbamoyl...) Show SMILES Cc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O6S/c1-16-5-2-3-8-20(16)30-27(36)31-11-9-17(10-12-31)14-29-19-7-4-6-18(13-19)24-22(28)23(37-15-21(32)33)25(38-24)26(34)35/h2-8,13,17,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219566 (4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219566 (4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219568 (4-bromo-3-carboxymethoxy-5-(3-{[1-(2-chlorophenylc...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C26H25BrClN3O6S/c27-21-22(37-14-20(32)33)24(25(34)35)38-23(21)16-4-3-5-17(12-16)29-13-15-8-10-31(11-9-15)26(36)30-19-7-2-1-6-18(19)28/h1-7,12,15,29H,8-11,13-14H2,(H,30,36)(H,32,33)(H,34,35)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219567 (4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-methylbenz...) Show SMILES Cc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H27BrN2O7S2/c1-16-5-2-3-6-18(16)15-38(34,35)29-11-9-19(10-12-29)28-20-8-4-7-17(13-20)24-22(27)23(36-14-21(30)31)25(37-24)26(32)33/h2-8,13,19,28H,9-12,14-15H2,1H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219566 (4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				J Med Chem 58: 9063-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00586 BindingDB Entry DOI: 10.7270/Q24T6NC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50183060 (CHEMBL3818452) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C28H29F4N3O10P2/c29-27(30,46(40,41)42)19-7-1-16(2-8-19)13-22(25(33)38)35-26(39)23(14-17-5-11-21(36)12-6-17)34-24(37)15-18-3-9-20(10-4-18)28(31,32)47(43,44)45/h1-12,22-23,36H,13-15H2,(H2,33,38)(H,34,37)(H,35,39)(H2,40,41,42)(H2,43,44,45)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B catalytic domain (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using p-Nitrophenyl phosphat...				Bioorg Med Chem 24: 3343-52 (2016) Article DOI: 10.1016/j.bmc.2016.06.035 BindingDB Entry DOI: 10.7270/Q20Z756P
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219575 (3-carboxymethoxy-5-{3-[1-(2-chlorobenzenesulfonyl)...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2Cl)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14H2,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219565 (4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H29BrN2O7S2/c1-16-5-3-6-17(2)21(16)15-39(35,36)30-11-9-19(10-12-30)29-20-8-4-7-18(13-20)25-23(28)24(37-14-22(31)32)26(38-25)27(33)34/h3-8,13,19,29H,9-12,14-15H2,1-2H3,(H,31,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219586 (4-bromo-3-(carboxymethoxy)-5-{3-[(1-{[2-(trifluoro...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C26H24BrF3N2O7S2/c27-21-22(39-13-20(33)34)24(25(35)36)40-23(21)15-5-3-6-18(12-15)31-17-8-10-32(11-9-17)41(37,38)14-16-4-1-2-7-19(16)26(28,29)30/h1-7,12,17,31H,8-11,13-14H2,(H,33,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13990 (5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219591 (5-[3-({[1-(anilinocarbonyl)piperidin-4-yl]methyl}a...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C26H26BrN3O6S/c27-21-22(36-15-20(31)32)24(25(33)34)37-23(21)17-5-4-8-19(13-17)28-14-16-9-11-30(12-10-16)26(35)29-18-6-2-1-3-7-18/h1-8,13,16,28H,9-12,14-15H2,(H,29,35)(H,31,32)(H,33,34)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219589 (5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phen...) Show SMILES Cc1c(OCC(O)=O)c(sc1-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C26H28N2O7S2/c1-17-23(35-15-22(29)30)25(26(31)32)36-24(17)19-8-5-9-21(14-19)27-20-10-12-28(13-11-20)37(33,34)16-18-6-3-2-4-7-18/h2-9,14,20,27H,10-13,15-16H2,1H3,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219576 (4-bromo-3-(carboxymethoxy)-5-(3-(1-(3-chlorobenzyl...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2cccc(Cl)c2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-4-2-6-19(12-16)28-18-7-9-29(10-8-18)38(34,35)14-15-3-1-5-17(27)11-15/h1-6,11-12,18,28H,7-10,13-14H2,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171117 (2-(4-(N-(3-bromo-4-(difluoro(phosphono)methyl)benz...) Show SMILES CN(C)S(=O)(=O)c1ccc(CN(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C25H26BrF2N2O10PS2/c1-29(2)42(36,37)20-8-3-17(4-9-20)14-30(43(38,39)21-10-6-19(7-11-21)40-16-24(31)32)15-18-5-12-22(23(26)13-18)25(27,28)41(33,34)35/h3-13H,14-16H2,1-2H3,(H,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219563 (5-(3-{[1-(anilinocarbonyl)piperidin-4-yl]methoxy}p...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OCC2CCN(CC2)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C26H25BrN2O7S/c27-21-22(36-15-20(30)31)24(25(32)33)37-23(21)17-5-4-8-19(13-17)35-14-16-9-11-29(12-10-16)26(34)28-18-6-2-1-3-7-18/h1-8,13,16H,9-12,14-15H2,(H,28,34)(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171106 ((4-{[(Benzyl-methyl-carbamoyl)-methyl]-[3-bromo-4-...) Show SMILES CN(Cc1ccccc1)C(=O)CN(Cc1ccc(c(Br)c1)C(F)(F)P(O)(O)=O)S(=O)(=O)c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C26H26BrF2N2O9PS/c1-30(14-18-5-3-2-4-6-18)24(32)16-31(42(38,39)21-10-8-20(9-11-21)40-17-25(33)34)15-19-7-12-22(23(27)13-19)26(28,29)41(35,36)37/h2-13H,14-17H2,1H3,(H,33,34)(H2,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219583 (4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylam...) Show SMILES CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C28H31BrN4O8S2/c1-2-30-28(38)32-21-9-4-3-6-18(21)16-43(39,40)33-12-10-19(11-13-33)31-20-8-5-7-17(14-20)25-23(29)24(41-15-22(34)35)26(42-25)27(36)37/h3-9,14,19,31H,2,10-13,15-16H2,1H3,(H,34,35)(H,36,37)(H2,30,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433188 (CHEMBL2377808) Show SMILES CCc1cc(CN(C(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C33H35N3O11/c1-4-22-18-21(14-15-24(22)36(29(39)31(42)43)25-11-6-5-10-23(25)30(40)41)19-35(20(2)37)33(45)34-16-7-8-17-47-27-13-9-12-26(38)28(27)32(44)46-3/h5-6,9-15,18,38H,4,7-8,16-17,19H2,1-3H3,(H,34,45)(H,40,41)(H,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 23: 2579-84 (2013) Article DOI: 10.1016/j.bmcl.2013.02.109 BindingDB Entry DOI: 10.7270/Q2CJ8FV5
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of PTP1B				Eur J Med Chem 44: 3147-57 (2009) Article DOI: 10.1016/j.ejmech.2009.03.009 BindingDB Entry DOI: 10.7270/Q2FJ2GTG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of the compound was determined against Protein-tyrosine phosphatase 1B (PTB1B)				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308849 ((S)-2-(carboxyformamido)-7-((5-fluoro-1H-indole-2-...) Show SMILES OC(=O)C(=O)Nc1sc2[C@H](CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O |r| Show InChI InChI=1S/C20H17FN4O6S/c21-9-1-2-11-8(5-9)6-12(24-11)16(26)23-7-13-15-10(3-4-22-13)14(19(28)29)18(32-15)25-17(27)20(30)31/h1-2,5-6,13,22,24H,3-4,7H2,(H,23,26)(H,25,27)(H,28,29)(H,30,31)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308852 ((S)-2-(N-(4-(2-acetamido-3-(4-(3-hydroxy-2-(methox...) Show SMILES CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)/t24-/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	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50326165 (CHEMBL1241315 | oxalylaminobenzoic acid) Show SMILES CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H35N3O11/c1-3-21-17-20(13-14-24(21)37(31(41)33(44)45)25-10-5-4-9-22(25)32(42)43)18-23-30(40)36(19-28(39)35-23)15-6-7-16-48-27-12-8-11-26(38)29(27)34(46)47-2/h4-5,8-14,17,23,38H,3,6-7,15-16,18-19H2,1-2H3,(H,35,39)(H,42,43)(H,44,45)/t23-/m1/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	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry				Eur J Med Chem 45: 3709-18 (2010) Article DOI: 10.1016/j.ejmech.2010.05.020 BindingDB Entry DOI: 10.7270/Q24Q7V6S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50151008 ((7S)-2-[(carboxycarbonyl)amino]-7-({[(5-fluoro-1H-...) Show SMILES OC(=O)C(=O)Nc1sc2C(CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O Show InChI InChI=1S/C20H17FN4O6S/c21-9-1-2-11-8(5-9)6-12(24-11)16(26)23-7-13-15-10(3-4-22-13)14(19(28)29)18(32-15)25-17(27)20(30)31/h1-2,5-6,13,22,24H,3-4,7H2,(H,23,26)(H,25,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B at pH 5.5				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity for Protein-tyrosine phosphatase 1B				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13954 (3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...) Show SMILES CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O |r| Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9365-7 BindingDB Entry DOI: 10.7270/Q25D8VRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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