Found 17 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | 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)) | BDBM50096221
(CHEMBL3593819)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1 Show InChI InChI=1S/C36H53N5O6/c1-6-24(4)33-32(43)22-40-19-13-12-17-30(40)36(46)37-27(15-8-7-9-18-31(42)23(2)3)34(44)38-28(35(45)39-33)20-25-21-41(47-5)29-16-11-10-14-26(25)29/h10-11,14,16,21,23-24,27-28,30,33H,6-9,12-13,15,17-20,22H2,1-5H3,(H,37,46)(H,38,44)(H,39,45)/t24?,27-,28-,30+,33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096225
(CHEMBL3593821)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)c(OC)c1 Show InChI InChI=1S/C33H47N5O7/c1-4-21(2)30-28(39)20-37-17-11-10-15-27(37)33(44)34-24(13-6-5-7-16-29(40)41)31(42)35-25(32(43)36-30)18-22-19-38(45-3)26-14-9-8-12-23(22)26/h8-9,12,14,19,21,24-25,27,30H,4-7,10-11,13,15-18,20H2,1-3H3,(H,34,44)(H,35,42)(H,36,43)(H,40,41)/t21?,24-,25-,27+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096222
(CHEMBL3593818)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096223
(CHEMBL3593817)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,25-,26-,28+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096227
(CHEMBL3593816)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccccc1 Show InChI InChI=1S/C33H47N5O7/c1-5-21(2)30-28(39)20-37-17-11-10-15-27(37)33(43)34-24(13-7-9-16-29(40)44-3)31(41)35-25(32(42)36-30)18-22-19-38(45-4)26-14-8-6-12-23(22)26/h6,8,12,14,19,21,24-25,27,30H,5,7,9-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,24-,25-,27+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096224
(CHEMBL3593822)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)NCc1ccccc1 Show InChI InChI=1S/C35H51N5O7/c1-5-22(3)32-31(43)21-39-18-12-11-16-28(39)35(46)36-25(14-8-10-17-30(42)29(41)6-2)33(44)37-26(34(45)38-32)19-23-20-40(47-4)27-15-9-7-13-24(23)27/h7,9,13,15,20,22,25-26,28,30,32,42H,5-6,8,10-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,25-,26-,28+,30?,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
| n/a | n/a | 756 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50096222
(CHEMBL3593818)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
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
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50096222
(CHEMBL3593818)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of SHP1 (unknown origin) using pNPP as substrate |
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 | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50096226
(CHEMBL3593820)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1cccc(OC)c1 Show InChI InChI=1S/C35H49N5O7/c1-5-21(3)31-29(42)20-39-17-10-9-15-27(39)35(45)36-24(13-11-16-30-32(47-30)28(41)6-2)33(43)37-25(34(44)38-31)18-22-19-40(46-4)26-14-8-7-12-23(22)26/h7-8,12,14,19,21,24-25,27,30-32H,5-6,9-11,13,15-18,20H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t21?,24-,25-,27+,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
| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50096223
(CHEMBL3593817)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,25-,26-,28+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 2
(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
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 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 | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50096221
(CHEMBL3593819)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1 Show InChI InChI=1S/C36H53N5O6/c1-6-24(4)33-32(43)22-40-19-13-12-17-30(40)36(46)37-27(15-8-7-9-18-31(42)23(2)3)34(44)38-28(35(45)39-33)20-25-21-41(47-5)29-16-11-10-14-26(25)29/h10-11,14,16,21,23-24,27-28,30,33H,6-9,12-13,15,17-20,22H2,1-5H3,(H,37,46)(H,38,44)(H,39,45)/t24?,27-,28-,30+,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of SHP1 (unknown origin) using pNPP as substrate |
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 | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50391109
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of SHP2 (unknown origin) using pNPP as substrate |
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 | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50391109
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of SHP1 (unknown origin) using pNPP as substrate |
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 | |
Receptor-type tyrosine-protein phosphatase F
(Homo sapiens (Human)) | BDBM50391109
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description Inhibition of LAR (unknown origin) using pNPP as substrate |
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 | |