Found 4 hits for monomerid = 50132459 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 22
(Homo sapiens (Human)) | BDBM50132459
(5-{2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbo...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C30H38N2O12/c1-17(26(35)36)43-22-12-11-18(15-19(22)27(37)38)16-20(32-29(40)44-30(2,3)4)25(34)31-13-6-7-14-42-23-10-8-9-21(33)24(23)28(39)41-5/h8-12,15,17,20,33H,6-7,13-14,16H2,1-5H3,(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t17?,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.73E+5 | 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 T-cell Protein Tyrosine Phosphatase (TCPTP) |
Bioorg Med Chem Lett 13: 3129-32 (2003)
BindingDB Entry DOI: 10.7270/Q24B30QV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50132459
(5-{2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbo...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C30H38N2O12/c1-17(26(35)36)43-22-12-11-18(15-19(22)27(37)38)16-20(32-29(40)44-30(2,3)4)25(34)31-13-6-7-14-42-23-10-8-9-21(33)24(23)28(39)41-5/h8-12,15,17,20,33H,6-7,13-14,16H2,1-5H3,(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t17?,20-/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
| 4.90E+4 | 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)) | BDBM50132459
(5-{2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbo...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C30H38N2O12/c1-17(26(35)36)43-22-12-11-18(15-19(22)27(37)38)16-20(32-29(40)44-30(2,3)4)25(34)31-13-6-7-14-42-23-10-8-9-21(33)24(23)28(39)41-5/h8-12,15,17,20,33H,6-7,13-14,16H2,1-5H3,(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t17?,20-/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
| 4.86E+4 | 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)) | BDBM50132459
(5-{2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbo...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C30H38N2O12/c1-17(26(35)36)43-22-12-11-18(15-19(22)27(37)38)16-20(32-29(40)44-30(2,3)4)25(34)31-13-6-7-14-42-23-10-8-9-21(33)24(23)28(39)41-5/h8-12,15,17,20,33H,6-7,13-14,16H2,1-5H3,(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t17?,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.86E+4 | 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 Protein-tyrosine phosphatase 1B (PTP1B) |
Bioorg Med Chem Lett 13: 3129-32 (2003)
BindingDB Entry DOI: 10.7270/Q24B30QV |
More data for this Ligand-Target Pair | 3D Structure (docked) |