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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB5' and Ligand = 'BDBM50120516'   
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/ITGB5


(Homo sapiens (Human))
BDBM50120516
PNG
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21|
Show InChI InChI=1S/C23H27N3O3/c27-22(9-5-13-25-21-8-3-4-12-24-21)26-16-17-10-11-18-6-1-2-7-20(18)19(14-17)15-23(28)29/h1-4,6-8,10,12,19H,5,9,11,13-16H2,(H,24,25)(H,26,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair