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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM209225'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209225
PNG
(US9266877, 171)
Show SMILES Cc1[nH]c(C#N)c(CC2CCCCC2)c1-c1ccc(nc1C(=O)NS(C)(=O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(7.93,2.6,;7.3,4.01,;8.07,5.35,;7.04,6.49,;7.36,8,;7.68,9.5,;5.63,5.86,;4.3,6.63,;4.3,8.17,;2.96,8.94,;2.96,10.48,;4.3,11.25,;5.63,10.48,;5.63,8.94,;5.79,4.33,;4.65,3.3,;5.42,1.97,;4.65,.63,;3.11,.63,;2.34,1.97,;3.11,3.3,;2.34,4.64,;.8,4.64,;3.11,5.97,;2.34,7.3,;1.57,8.64,;1,6.53,;3.67,8.07,;2.34,-.7,;.8,-.7,;.03,-2.03,;.8,-3.37,;.03,-4.7,;.8,-6.03,;2.34,-6.03,;3.11,-4.7,;4.65,-4.7,;5.42,-3.37,;5.42,-6.03,;6.96,-6.03,;7.86,-4.79,;9.33,-5.26,;10.66,-4.49,;12,-5.26,;12,-6.8,;10.66,-7.57,;9.33,-6.8,;7.86,-7.28,;2.34,-3.37,;3.11,-2.03,)|
Show InChI InChI=1S/C37H37N7O4S2/c1-22-33(27(30(20-38)39-22)19-23-9-4-3-5-10-23)26-15-16-32(41-34(26)36(46)43-50(2,47)48)44-18-17-24-11-8-12-25(28(24)21-44)35(45)42-37-40-29-13-6-7-14-31(29)49-37/h6-8,11-16,23,39H,3-5,9-10,17-19,21H2,1-2H3,(H,43,46)(H,40,42,45)
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US Patent
<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair