Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045882 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)) | BDBM50088047
(CHEMBL3427126)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccc(cc2)C(=O)c2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-21-27(22-24-28)32(37)26-18-15-14-16-19-26/h14-16,18-19,21-24,30,38H,2-13,17,20,25H2,1H3 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104677
(3-Hexadecanoyl-4-hydroxy-5-methylene-5H-furan-2-on...)Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19-20(23)17(2)25-21(19)24/h19H,2-16H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088049
(CHEMBL3427124)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COS(C)(=O)=O)OC1=O |c:17| Show InChI InChI=1S/C22H38O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)20-21(24)19(29-22(20)25)17-28-30(2,26)27/h19,24H,3-17H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088048
(CHEMBL3427125)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(C)=O)OC1=O |c:17| Show InChI InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(25)21-22(26)20(29-23(21)27)17-28-18(2)24/h20,26H,3-17H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088046
(CHEMBL3427127)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-19-18-22-27(28)32(37)26-20-15-14-16-21-26/h14-16,18-23,30,38H,2-13,17,24-25H2,1H3 | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088054
(CHEMBL3427132)Show SMILES CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19| Show InChI InChI=1S/C24H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(2,3)29-23(21)27/h26H,4-19H2,1-3H3 | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | 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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088050
(CHEMBL3427224)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC2(CCCC2)OC1=O |c:17| Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)21-22(26)28-24(29-23(21)27)18-15-16-19-24/h26H,2-19H2,1H3 | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088044
(CHEMBL3427137)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(CC)OC1=O |c:17| Show InChI InChI=1S/C23H40O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24)20-21(25)27-23(3,5-2)28-22(20)26/h25H,4-18H2,1-3H3 | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088055
(CHEMBL3427131)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:17| Show InChI InChI=1S/C22H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19-20(24)26-22(2,3)27-21(19)25/h24H,4-17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088051
(CHEMBL3427223)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(CC)(CC)OC1=O |c:17| Show InChI InChI=1S/C24H42O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(5-2,6-3)29-23(21)27/h26H,4-19H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088057
(CHEMBL3427129)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(COCc2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C29H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(30)28-27(31)21-25(34-29(28)32)23-33-22-24-18-15-14-16-19-24/h14-16,18-19,25,31H,2-13,17,20-23H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088045
(CHEMBL3427128)Show SMILES CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)OC(COCc2ccccc2)C1 |t:18| Show InChI InChI=1S/C29H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(30)33-26-21-27(34-29(31)22-26)24-32-23-25-18-15-14-16-19-25/h14-16,18-19,22,27H,2-13,17,20-21,23-24H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088056
(CHEMBL3427130)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(CO)OC1=O |c:17| Show InChI InChI=1S/C22H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)21-20(25)16-18(17-23)27-22(21)26/h18,23,25H,2-17H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088053
(CHEMBL3427133)Show InChI InChI=1S/C16H26O5/c1-4-5-6-7-8-9-10-11-12(17)13-14(18)20-16(2,3)21-15(13)19/h18H,4-11H2,1-3H3 | 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 | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088052
(CHEMBL3427134)Show InChI InChI=1S/C10H14O5/c1-5(2)7(11)6-8(12)14-10(3,4)15-9(6)13/h5,12H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088043
(CHEMBL3427136)Show InChI InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h10H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50088042
(CHEMBL3427135)Show InChI InChI=1S/C10H14O5/c1-4-5-6(11)7-8(12)14-10(2,3)15-9(7)13/h12H,4-5H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in... |
Eur J Med Chem 97: 42-54 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F |
More data for this Ligand-Target Pair | |