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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fibronectin receptor beta/Integrin alpha-4' and Ligand = 'BDBM50139094'   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50139094
PNG
((S)-2-{[2-(2,6-Dichloro-benzenesulfonyl)-2-aza-bic...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)C1C2CCC(CC2)N1S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl4N4O6S/c30-20-2-1-3-21(31)26(20)44(42,43)37-19-10-6-16(7-11-19)25(37)28(39)35-22(29(40)41)12-15-4-8-18(9-5-15)34-27(38)17-13-23(32)36-24(33)14-17/h1-5,8-9,13-14,16,19,22,25H,6-7,10-12H2,(H,34,38)(H,35,39)(H,40,41)/t16?,19?,22-,25?/m0/s1
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Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of integrin alpha4-beta1 to immobilized VCAM-1 expressed on endothelial cell surface.


Bioorg Med Chem Lett 14: 591-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.063
BindingDB Entry DOI: 10.7270/Q28S4PB9
More data for this
Ligand-Target Pair