Found 3 hits for monomerid = 50437657 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)) | BDBM50437657
(CHEMBL2408067)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H39N7O5/c1-4-36(5-2)29-32-21-26(38(6-3)30(41)33-23-12-8-7-9-13-23)27(35-29)34-25(28(39)40)20-22-14-16-24(17-15-22)43-31(42)37-18-10-11-19-37/h7-9,12-17,21,25H,4-6,10-11,18-20H2,1-3H3,(H,33,41)(H,39,40)(H,32,34,35)/t25-/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 | 3.22E+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)) | BDBM50437657
(CHEMBL2408067)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H39N7O5/c1-4-36(5-2)29-32-21-26(38(6-3)30(41)33-23-12-8-7-9-13-23)27(35-29)34-25(28(39)40)20-22-14-16-24(17-15-22)43-31(42)37-18-10-11-19-37/h7-9,12-17,21,25H,4-6,10-11,18-20H2,1-3H3,(H,33,41)(H,39,40)(H,32,34,35)/t25-/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 | 7.5 | 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)) | BDBM50437657
(CHEMBL2408067)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H39N7O5/c1-4-36(5-2)29-32-21-26(38(6-3)30(41)33-23-12-8-7-9-13-23)27(35-29)34-25(28(39)40)20-22-14-16-24(17-15-22)43-31(42)37-18-10-11-19-37/h7-9,12-17,21,25H,4-6,10-11,18-20H2,1-3H3,(H,33,41)(H,39,40)(H,32,34,35)/t25-/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 | 67 | 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 | |