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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50083773'   
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/beta-3


(Homo sapiens (Human))
BDBM50083773
PNG
(2-(Biphenyl-4-sulfonylamino)-3-({5-[4-(pyridin-2-y...)
Show SMILES CN([C@@H](CNC(=O)C1=NOC(CCCCNc2ccccn2)C1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |t:7|
Show InChI InChI=1S/C29H33N5O6S/c1-34(41(38,39)24-15-13-22(14-16-24)21-9-3-2-4-10-21)26(29(36)37)20-32-28(35)25-19-23(40-33-25)11-5-7-17-30-27-12-6-8-18-31-27/h2-4,6,8-10,12-16,18,23,26H,5,7,11,17,19-20H2,1H3,(H,30,31)(H,32,35)(H,36,37)/t23?,26-/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen


J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair