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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50109897   
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))		BDBM50109897
PNG
((R)-3-(4-Cyclopentyloxy-phenyl)-3-{[(S)-1-(3,5-dic...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC2CCCC2)cc1
Show InChI InChI=1S/C24H26Cl2N2O6S/c25-16-11-17(26)13-20(12-16)35(32,33)28-10-9-22(28)24(31)27-21(14-23(29)30)15-5-7-19(8-6-15)34-18-3-1-2-4-18/h5-8,11-13,18,21-22H,1-4,9-10,14H2,(H,27,31)(H,29,30)/t21-,22+/m1/s1
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]VCAM-Ig binding to alpha4-beta1 (VLA-4) of human RPMI-8866 cells

Bioorg Med Chem Lett 12: 611-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P30Z0
More data for this
Ligand-Target Pair