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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 = 'BDBM50327751'   
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))
BDBM50327751
PNG
((S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/m1/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta3


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair