Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM13977' 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)) | BDBM13977
(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H35N3O10/c1-28(2,3)41-27(38)31-19(16-17-10-12-18(13-11-17)30-24(34)25(35)36)23(33)29-14-5-6-15-40-21-9-7-8-20(32)22(21)26(37)39-4/h7-13,19,32H,5-6,14-16H2,1-4H3,(H,29,33)(H,30,34)(H,31,38)(H,35,36)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.80E+3 | 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 | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13977
(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H35N3O10/c1-28(2,3)41-27(38)31-19(16-17-10-12-18(13-11-17)30-24(34)25(35)36)23(33)29-14-5-6-15-40-21-9-7-8-20(32)22(21)26(37)39-4/h7-13,19,32H,5-6,14-16H2,1-4H3,(H,29,33)(H,30,34)(H,31,38)(H,35,36)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 8.80E+3 | 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 (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13977
(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H35N3O10/c1-28(2,3)41-27(38)31-19(16-17-10-12-18(13-11-17)30-24(34)25(35)36)23(33)29-14-5-6-15-40-21-9-7-8-20(32)22(21)26(37)39-4/h7-13,19,32H,5-6,14-16H2,1-4H3,(H,29,33)(H,30,34)(H,31,38)(H,35,36)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 8.91E+3 | 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 (docked) |