Found 3 hits for monomerid = 50437659 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 |
Fibronectin receptor beta/Integrin alpha-4
(Homo sapiens (Human)) | BDBM50437659
(CHEMBL2407889)Show SMILES CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-12-14-29-15-13-21)25(32-27)31-23(26(36)37)18-20-8-10-22(11-9-20)41-28(38)34-16-6-7-17-34/h8-15,19,23H,4-7,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in presence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Fibronectin receptor beta/Integrin alpha-4
(Homo sapiens (Human)) | BDBM50437659
(CHEMBL2407889)Show SMILES CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-12-14-29-15-13-21)25(32-27)31-23(26(36)37)18-20-8-10-22(11-9-20)41-28(38)34-16-6-7-17-34/h8-15,19,23H,4-7,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |
Integrin α4β7
(Homo sapiens (Human)) | BDBM50437659
(CHEMBL2407889)Show SMILES CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C28H35N7O6S/c1-4-33(5-2)27-30-19-24(35(42(3,39)40)21-12-14-29-15-13-21)25(32-27)31-23(26(36)37)18-20-8-10-22(11-9-20)41-28(38)34-16-6-7-17-34/h8-15,19,23H,4-7,16-18H2,1-3H3,(H,36,37)(H,30,31,32)/t23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1 |
Bioorg Med Chem Lett 23: 4370-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91 |
More data for this Ligand-Target Pair | |