Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM145145
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
<0.01±n/a nM
Comments
extracted
Citation
 Ding, H; Doherty, GA; Elmore, SW; Hexamer, L; Kunzer, AR; Park, C; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, L; Wendt, MD; Czabotar, PE; Lessene, GL; Colman, PM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US8952157 Publication Date 2/10/2015 
Target
Name:
Apoptosis regulator Bcl-2
Synonyms:
Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | BCL2 | BCL2_HUMAN | Bcl-2 Protein
Type:
Homodimer or heterodimer
Mol. Mass.:
26269.11
Organism:
Homo sapiens (Human)
Description:
P10415
Residue:
239
Sequence:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
  
Inhibitor
Name:
BDBM145145
Synonyms:
US8952157, 336 | US9303025, 336
Type:
Small organic molecule
Emp. Form.:
C55H66ClFN8O7S
Mol. Mass.:
1037.678
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:71,(-7.99,-9.64,;-7.17,-8.33,;-8.71,-8.39,;-7.17,-6.79,;-5.84,-6.02,;-4.5,-6.79,;-3.17,-6.02,;-3.17,-4.48,;-1.84,-3.71,;-1.84,-2.17,;-3.17,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.17,.14,;-1.84,.91,;-1.84,2.45,;-3.17,3.22,;-3.17,4.76,;-4.5,5.53,;-1.84,5.53,;-1.84,7.07,;-.3,7.07,;-3.38,7.07,;-1.84,8.61,;-.5,9.38,;-.5,10.92,;-1.84,11.69,;-1.84,13.23,;-.5,14,;-.5,15.54,;.83,16.31,;2.17,15.54,;2.17,14,;.83,13.23,;3.5,16.31,;3.5,17.85,;4.83,18.62,;6.17,17.85,;6.17,16.31,;4.83,15.54,;7.5,18.62,;8.83,17.85,;10.17,18.62,;10.17,20.16,;8.83,20.93,;7.5,20.16,;-3.17,10.92,;-3.17,9.38,;-4.5,11.69,;-5.84,10.92,;-4.5,13.23,;-4.5,2.45,;-5.84,3.22,;-7.17,2.45,;-8.5,3.22,;-9.84,2.45,;-11.3,2.92,;-12.21,1.68,;-11.3,.43,;-9.84,.91,;-8.5,.14,;-7.17,.91,;-5.84,.14,;-4.5,.91,;-4.5,-8.33,;-5.84,-9.1,;-3.17,-9.1,;-1.84,-8.33,;-.5,-9.1,;-.5,-10.64,;.83,-11.41,;-1.84,-11.41,;-3.17,-10.64,)|
Structure:
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