Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM178830
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki
4.152±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:
BDBM178830
Synonyms:
US9125913, 402
Type:
Small organic molecule
Emp. Form.:
C49H57ClN8O7S
Mol. Mass.:
937.544
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(-5.31,9.05,;-4.59,7.69,;-3.86,9.05,;-3.25,6.92,;-3.25,5.38,;-4.59,4.61,;-4.59,3.07,;-3.25,2.3,;-3.25,.76,;-1.92,-.01,;-.58,.76,;-.58,2.3,;-1.92,3.07,;.75,-.01,;.75,-1.55,;2.08,-2.32,;3.42,-1.55,;4.75,-2.32,;6.08,-1.55,;4.75,-3.86,;6.08,-4.63,;5.31,-5.96,;6.85,-3.29,;7.42,-5.4,;7.42,-6.94,;8.75,-7.71,;10.09,-6.94,;11.42,-7.71,;11.42,-9.25,;12.75,-10.02,;12.75,-11.56,;11.42,-12.33,;10.09,-11.56,;10.09,-10.02,;11.42,-13.87,;12.75,-14.64,;12.75,-16.18,;11.42,-16.95,;10.09,-16.18,;10.09,-14.64,;10.09,-5.4,;8.75,-4.63,;11.42,-4.63,;11.42,-3.09,;12.75,-5.4,;3.42,-.01,;4.75,.76,;4.75,2.3,;6.08,3.07,;6.08,4.61,;4.75,5.38,;3.42,4.61,;1.95,5.09,;1.05,3.84,;1.95,2.6,;3.42,3.07,;2.08,.76,;-5.92,5.38,;-5.92,6.92,;-7.25,4.61,;-7.25,3.07,;-8.59,2.3,;-9.92,3.07,;-11.25,2.3,;-9.92,4.61,;-8.59,5.38,)|
Structure:
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