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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50106086'   
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-5/beta-1


(Homo sapiens (Human))		BDBM50106086
PNG
((S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-prop...)
Show SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C33H40N4O8/c1-22-8-5-6-9-26(22)36-33(42)34-25-13-10-23(11-14-25)18-31(39)37(16-7-17-43-2)21-30(38)35-27(20-32(40)41)24-12-15-28(44-3)29(19-24)45-4/h5-6,8-15,19,27H,7,16-18,20-21H2,1-4H3,(H,35,38)(H,40,41)(H2,34,36,42)/t27-/m0/s1
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)

Bioorg Med Chem Lett 11: 2955-8 (2001)


BindingDB Entry DOI: 10.7270/Q20001CZ
More data for this
Ligand-Target Pair