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Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM16898'   
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 [T112H]


(Homo sapiens (Human))		BDBM16898
PNG
((3S)-3-[(2S)-3-butanamido-2-[1-(4-{[(2-methylpheny...)
Show SMILES CCCC(=O)NC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C38H52N8O9/c1-5-10-30(47)40-21-28(42-31(48)19-24-14-16-25(17-15-24)41-38(55)44-26-12-8-7-11-23(26)4)36(53)43-27(20-32(49)50)35(52)45-33(22(3)6-2)37(54)46-18-9-13-29(46)34(39)51/h7-8,11-12,14-17,22,27-29,33H,5-6,9-10,13,18-21H2,1-4H3,(H2,39,51)(H,40,47)(H,42,48)(H,43,53)(H,45,52)(H,49,50)(H2,41,44,55)/t22?,27-,28-,29-,33-/m0/s1
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Similars
Article
PubMed
n/an/a 138n/an/an/an/an/an/a



University of California Davis



Assay Description
Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1...

Biopolymers 84: 595-604 (2006)


Article DOI: 10.1002/bip.20588
BindingDB Entry DOI: 10.7270/Q2PR7T74
More data for this
Ligand-Target Pair