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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V' and Ligand = 'BDBM50296621'   
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


(Homo sapiens (Human))
BDBM50296621
PNG
((R)-3-(benzylamino)-2-(2,4,6-trimethylphenylsulfon...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H24N2O4S/c1-13-9-14(2)18(15(3)10-13)26(24,25)21-17(19(22)23)12-20-11-16-7-5-4-6-8-16/h4-10,17,20-21H,11-12H2,1-3H3,(H,22,23)/t17-/m1/s1
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MMDB

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PC cid
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Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.041
BindingDB Entry DOI: 10.7270/Q2CJ8DJQ
More data for this
Ligand-Target Pair