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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 = 'BDBM50296630'   
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))
BDBM50296630
PNG
((R)-3-(2-(furan-3-yl)-2-oxoethylamino)-2-(2,4,6-tr...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNCC(=O)c1ccoc1)C(O)=O |r|
Show InChI InChI=1S/C18H22N2O6S/c1-11-6-12(2)17(13(3)7-11)27(24,25)20-15(18(22)23)8-19-9-16(21)14-4-5-26-10-14/h4-7,10,15,19-20H,8-9H2,1-3H3,(H,22,23)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/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