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SMILES: CC(C)CN(C)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C

InChI Key: InChIKey=QWYIHLODVGFLLG-DEOSSOPVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338187   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50338187
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(isob...)
Show SMILES CC(C)CN(C)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H35N5O4/c1-18(2)17-33(6)27-29-16-23(22-10-8-7-9-19(22)3)25(31-27)30-24(26(34)35)15-20-11-13-21(14-12-20)37-28(36)32(4)5/h7-14,16,18,24H,15,17H2,1-6H3,(H,34,35)(H,29,30,31)/t24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis

Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair