Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50017939 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)) | BDBM50188784
![PNG](/data/jpeg/tenK5018/BindingDB_50188784.png) (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...)Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 4252-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50188776
![PNG](/data/jpeg/tenK5018/BindingDB_50188776.png) (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...)Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 4252-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50188777
![PNG](/data/jpeg/tenK5018/BindingDB_50188777.png) (CHEMBL213452 | ammonium N-[4-(2-{[(benzyloxy)carbo...)Show SMILES CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OCc1ccccc1)C(=O)OC Show InChI InChI=1S/C21H24N2O9S/c1-3-31-19(25)21(18(24)30-2,22-20(26)32-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)23-33(27,28)29/h4-12,23H,3,13-14H2,1-2H3,(H,22,26)(H,27,28,29)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 4252-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50188779
![PNG](/data/jpeg/tenK5018/BindingDB_50188779.png) (CHEMBL378423 | ammonium N-{4-[4-ethoxy-2,2-bis(met...)Show SMILES CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC Show InChI InChI=1S/C16H21NO9S/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 4252-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13431
![PNG](/data/jpeg/tenK1/BindingDB_13431.png) (CHEMBL204336 | N-{4-[(2S)-2-{[(tert-butoxy)carbony...)Show SMILES CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C15H23N3O6S/c1-15(2,3)24-14(20)17-12(13(19)16-4)9-10-5-7-11(8-6-10)18-25(21,22)23/h5-8,12,18H,9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL KEGG PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 4252-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4 |
More data for this Ligand-Target Pair | |