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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50231424'   
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


(Homo sapiens (Human))		BDBM50231424
PNG
((S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H32N6O5S/c33-21-24-6-4-7-25(22-34)30(24)37-18-16-36(17-19-37)26-13-11-23(12-14-26)20-28(32(40)41)35-31(39)29-10-5-15-38(29)44(42,43)27-8-2-1-3-9-27/h1-4,6-9,11-14,28-29H,5,10,15-20H2,(H,35,39)(H,40,41)/t28-,29-/m0/s1
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Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA

Bioorg Med Chem Lett 18: 1053-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8
More data for this
Ligand-Target Pair