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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50101759'   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50101759
PNG
((S)-2-(4-Chloro-benzenesulfonylamino)-3-({5-[2-(1,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1ccc(Cl)cc1 |t:17|
Show InChI InChI=1S/C21H24ClN5O6S2/c22-13-2-6-15(7-3-13)35(32,33)27-16(20(30)31)12-25-19(29)17-8-4-14(34-17)5-9-18(28)26-21-23-10-1-11-24-21/h2-4,6-8,16,27H,1,5,9-12H2,(H,25,29)(H,30,31)(H2,23,24,26,28)/t16-/m0/s1
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PC cid
PC sid
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Patents

PubMed
n/an/a 55n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair