BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50124286'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50124286
PNG
(3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-((S)-toluene-4-...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCCC2)S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
Show InChI InChI=1S/C30H33NO6S/c1-21-10-16-24(17-11-21)38(35,36)30(18-6-3-7-19-30)29(34)31-26(28(32)33)20-22-12-14-23(15-13-22)25-8-4-5-9-27(25)37-2/h4-5,8-17,26H,3,6-7,18-20H2,1-2H3,(H,31,34)(H,32,33)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligand


Bioorg Med Chem Lett 13: 885-90 (2003)


BindingDB Entry DOI: 10.7270/Q2X34WVH
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50124286
PNG
(3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-((S)-toluene-4-...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCCC2)S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
Show InChI InChI=1S/C30H33NO6S/c1-21-10-16-24(17-11-21)38(35,36)30(18-6-3-7-19-30)29(34)31-26(28(32)33)20-22-12-14-23(15-13-22)25-8-4-5-9-27(25)37-2/h4-5,8-17,26H,3,6-7,18-20H2,1-2H3,(H,31,34)(H,32,33)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Ian Wark Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta1 integrin


Bioorg Med Chem 19: 5903-11 (2011)


Article DOI: 10.1016/j.bmc.2011.08.011
BindingDB Entry DOI: 10.7270/Q26111MP
More data for this
Ligand-Target Pair