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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50143842'   
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))
BDBM50143842
PNG
(3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O
Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to Vitronectin receptor (alpha V beta 3)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair