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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50423750'   
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))
BDBM50423750
PNG
(CHEMBL600859)
Show SMILES [#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#7]-[#6](=O)-c2ccc(F)nc2)-[#6](=O)-[#7]-[#6@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#6]-1 |r|
Show InChI InChI=1S/C75H115FN18O28S3/c76-59-12-11-50(38-86-59)69(106)94-122-44-65(101)83-17-21-114-25-29-118-32-34-119-33-31-117-28-24-113-20-16-82-64(100)43-121-42-62(98)80-13-5-4-9-53-71(108)92-56-46-124-125-47-57(93-72(109)55(37-67(103)104)89-61(97)39-87-70(107)52(90-73(56)110)10-6-14-85-75(78)79)74(111)91-54(35-49-7-2-1-3-8-49)58(95)36-51(45-123-48-66(102)88-53)68(105)84-18-22-115-26-30-116-27-23-112-19-15-81-63(99)41-120-40-60(77)96/h1-3,7-8,11-12,38,51-57H,4-6,9-10,13-37,39-48H2,(H2,77,96)(H,80,98)(H,81,99)(H,82,100)(H,83,101)(H,84,105)(H,87,107)(H,88,102)(H,89,97)(H,90,110)(H,91,111)(H,92,108)(H,93,109)(H,94,106)(H,103,104)(H4,78,79,85)/t51-,52-,53-,54-,55-,56-,57-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from alphaVbeta3 receptor in human EA-Hy926 cells by gamma-counting


J Med Chem 53: 1732-40 (2010)


Article DOI: 10.1021/jm9015813
BindingDB Entry DOI: 10.7270/Q27082Q2
More data for this
Ligand-Target Pair