Found 3 hits for monomerid = 13969 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 |
Protein-Tyrosine Phosphatase 1B (PTP1B)
(Homo sapiens (Human)) | BDBM13969
(2-({4-[(2S)-2-methanesulfonamido-2-(pentylcarbamoy...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C24H29N3O8S/c1-3-4-7-14-25-21(28)19(26-36(2,34)35)15-16-10-12-17(13-11-16)27(22(29)24(32)33)20-9-6-5-8-18(20)23(30)31/h5-6,8-13,19,26H,3-4,7,14-15H2,1-2H3,(H,25,28)(H,30,31)(H,32,33)/t19-/m0/s1 | PDB MMDB
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9.10E+3 | -6.80 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
J Med Chem 46: 2093-103 (2003)
Article DOI: 10.1021/jm0205696 BindingDB Entry DOI: 10.7270/Q26H4FPH |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM13969
(2-({4-[(2S)-2-methanesulfonamido-2-(pentylcarbamoy...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C24H29N3O8S/c1-3-4-7-14-25-21(28)19(26-36(2,34)35)15-16-10-12-17(13-11-16)27(22(29)24(32)33)20-9-6-5-8-18(20)23(30)31/h5-6,8-13,19,26H,3-4,7,14-15H2,1-2H3,(H,25,28)(H,30,31)(H,32,33)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 9.10E+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) |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM13969
(2-({4-[(2S)-2-methanesulfonamido-2-(pentylcarbamoy...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C24H29N3O8S/c1-3-4-7-14-25-21(28)19(26-36(2,34)35)15-16-10-12-17(13-11-16)27(22(29)24(32)33)20-9-6-5-8-18(20)23(30)31/h5-6,8-13,19,26H,3-4,7,14-15H2,1-2H3,(H,25,28)(H,30,31)(H,32,33)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 9.12E+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) |