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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50378338'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378338
PNG
(CHEMBL573961)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H46F3N5O10S/c1-50-15-16-51-17-18-52-19-20-53-24-33(45)42-29-21-25(22-30(35(46)47)44-55(48,49)28-7-2-6-27(23-28)36(37,38)39)8-10-31(29)54-14-4-13-40-32-11-9-26-5-3-12-41-34(26)43-32/h2,6-11,21,23,30,44H,3-5,12-20,22,24H2,1H3,(H,42,45)(H,46,47)(H2,40,41,43)/t30-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair