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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Src Mutant (S345C/T338M)' and Ligand = 'BDBM31826'   
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
Src Mutant (S345C/T338M)


(Gallus gallus (Chicken))
BDBM31826
PNG
(4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)