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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM50178253'   
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-V/beta-6


(Homo sapiens (Human))		BDBM50178253
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H27N3O4S/c29-24(30)13-18(17-7-9-21-22(12-17)32-15-31-21)11-20-14-33-23(27-20)5-1-4-19-8-6-16-3-2-10-26-25(16)28-19/h6-9,12,14,18H,1-5,10-11,13,15H2,(H,26,28)(H,29,30)
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Article
PubMed
n/an/a 2.39E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphaV Beta6 receptor in HT29 cells by solid-phase receptor binding assay

Bioorg Med Chem Lett 16: 845-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.017
BindingDB Entry DOI: 10.7270/Q2PN956J
More data for this
Ligand-Target Pair