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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50209461'   
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))
BDBM50209461
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair