Found 3 hits for monomerid = 50437652 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)) | BDBM50437652
(CHEMBL2408069)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C33H43N7O5/c1-4-38(5-2)31-35-23-28(40(6-3)32(43)34-19-18-24-12-8-7-9-13-24)29(37-31)36-27(30(41)42)22-25-14-16-26(17-15-25)45-33(44)39-20-10-11-21-39/h7-9,12-17,23,27H,4-6,10-11,18-22H2,1-3H3,(H,34,43)(H,41,42)(H,35,36,37)/t27-/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 | 5.83E+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)) | BDBM50437652
(CHEMBL2408069)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C33H43N7O5/c1-4-38(5-2)31-35-23-28(40(6-3)32(43)34-19-18-24-12-8-7-9-13-24)29(37-31)36-27(30(41)42)22-25-14-16-26(17-15-25)45-33(44)39-20-10-11-21-39/h7-9,12-17,23,27H,4-6,10-11,18-22H2,1-3H3,(H,34,43)(H,41,42)(H,35,36,37)/t27-/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 | 12 | 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)) | BDBM50437652
(CHEMBL2408069)Show SMILES CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C33H43N7O5/c1-4-38(5-2)31-35-23-28(40(6-3)32(43)34-19-18-24-12-8-7-9-13-24)29(37-31)36-27(30(41)42)22-25-14-16-26(17-15-25)45-33(44)39-20-10-11-21-39/h7-9,12-17,23,27H,4-6,10-11,18-22H2,1-3H3,(H,34,43)(H,41,42)(H,35,36,37)/t27-/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 | 29 | 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 | |
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