Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM178849
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki
54.039±n/a nM
Citation
 Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, L; Hexamer, LA; Kunzer, AR; Mantei, RA; McClellan, WJ; Park, CH; Park, C; Petros, AM; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases US Patent  US9125913 Publication Date 9/8/2015 
Target
Name:
Bcl-2-like protein 1
Synonyms:
Apoptosis regulator Bcl-XL | B2CL1_MOUSE | Bcl2l | Bcl2l1 | Bclx
Type:
Protein
Mol. Mass.:
26122.63
Organism:
Mus musculus (Mouse)
Description:
Q64373
Residue:
233
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEETEAERETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIASWMATYLNDHLEPWIQENGGWDTFVDLYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
  
Inhibitor
Name:
BDBM178849
Synonyms:
US9125913, 421
Type:
Small organic molecule
Emp. Form.:
C45H50Cl2N6O6S
Mol. Mass.:
873.886
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(O)CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56,(-12.72,-.61,;-11.18,-.56,;-12,-1.86,;-9.85,-1.33,;-8.52,-.56,;-8.52,.98,;-7.18,1.75,;-5.85,.98,;-5.85,-.56,;-4.52,-1.33,;-3.18,-.56,;-3.18,.98,;-4.52,1.75,;-1.85,-1.33,;-1.85,-2.87,;-.51,-3.64,;.82,-2.87,;2.15,-3.64,;2.15,-5.18,;3.49,-2.87,;4.82,-3.64,;5.59,-2.3,;4.05,-4.97,;6.15,-4.41,;6.15,-5.95,;7.49,-6.72,;8.82,-5.95,;10.16,-6.72,;11.49,-5.95,;12.82,-6.72,;14.16,-5.95,;15.49,-6.72,;15.49,-8.26,;16.82,-9.03,;14.16,-9.03,;12.82,-8.26,;8.82,-4.41,;10.16,-3.64,;7.49,-3.64,;.82,-1.33,;2.15,-.56,;2.15,.98,;3.49,1.75,;3.49,3.29,;2.15,4.06,;.82,3.29,;-.65,3.77,;-1.55,2.52,;-.65,1.28,;.82,1.75,;-.51,-.56,;-9.85,1.75,;-11.18,.98,;-9.85,3.29,;-11.18,4.06,;-11.18,5.6,;-9.85,6.37,;-9.85,7.91,;-8.52,5.6,;-8.52,4.06,)|
Structure:
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