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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 = 'BDBM50178239'   
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))		BDBM50178239
PNG
(3-(3-fluorophenyl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cccc(F)c1
Show InChI InChI=1S/C24H26FN3O2S/c25-19-6-1-4-17(12-19)18(14-23(29)30)13-21-15-31-22(27-21)8-2-7-20-10-9-16-5-3-11-26-24(16)28-20/h1,4,6,9-10,12,15,18H,2-3,5,7-8,11,13-14H2,(H,26,28)(H,29,30)
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Similars
Article
PubMed
n/an/a 1.31E+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