Found 3 hits for monomerid = 50437673 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)) | BDBM50437673
(CHEMBL2407892)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/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 | 268 | 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)) | BDBM50437673
(CHEMBL2407892)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/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 | 3.40 | 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)) | BDBM50437673
(CHEMBL2407892)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/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 | 30 | 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 | |
Search and Browse
