Found 2 hits Enz. Inhib. hit(s) with Target = 'Ras-related protein Rap-1A' and Ligand = 'BDBM50310364' 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 |
Ras-related protein Rap-1A
(Homo sapiens (Human)) | BDBM50310364
(CHEMBL1077126 | YESSOTOXIN)Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS([O-])(=O)=O)[C@@](C)(CCOS([O-])(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r| Show InChI InChI=1S/C55H82O20S2/c1-10-11-29(2)12-15-51(5,56)50-31(4)20-41-40(71-50)25-45-55(9,73-41)28-44-38(68-45)24-43-49(70-44)30(3)13-16-53(7)47(69-43)27-46-54(8,75-53)17-14-32-33(67-46)21-35-34(64-32)22-36-37(65-35)23-42-39(66-36)26-48(74-77(60,61)62)52(6,72-42)18-19-63-76(57,58)59/h10,12,15,30,32-50,56H,1-2,4,11,13-14,16-28H2,3,5-9H3,(H,57,58,59)(H,60,61,62)/p-2/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53-,54+,55+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
Osaka University
Curated by ChEMBL
| Assay Description Binding affinity to RAP1A in human RBC membrane by surface plasmon resonance analysis |
Bioorg Med Chem Lett 20: 6443-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.080 BindingDB Entry DOI: 10.7270/Q2R212C8 |
More data for this Ligand-Target Pair | |
Ras-related protein Rap-1A
(Homo sapiens (Human)) | BDBM50310364
(CHEMBL1077126 | YESSOTOXIN)Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS([O-])(=O)=O)[C@@](C)(CCOS([O-])(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r| Show InChI InChI=1S/C55H82O20S2/c1-10-11-29(2)12-15-51(5,56)50-31(4)20-41-40(71-50)25-45-55(9,73-41)28-44-38(68-45)24-43-49(70-44)30(3)13-16-53(7)47(69-43)27-46-54(8,75-53)17-14-32-33(67-46)21-35-34(64-32)22-36-37(65-35)23-42-39(66-36)26-48(74-77(60,61)62)52(6,72-42)18-19-63-76(57,58)59/h10,12,15,30,32-50,56H,1-2,4,11,13-14,16-28H2,3,5-9H3,(H,57,58,59)(H,60,61,62)/p-2/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53-,54+,55+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
Osaka University
Curated by ChEMBL
| Assay Description Binding affinity to RAP1A in human RBC membrane by western blot analysis |
Bioorg Med Chem Lett 20: 6443-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.080 BindingDB Entry DOI: 10.7270/Q2R212C8 |
More data for this Ligand-Target Pair | |