Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189512
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
 Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, LA; Hexamer, L; Kunzer, AR; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD; Mantei, RA; Hansen, TM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US9174982 Publication Date 11/3/2015 
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:
BDBM189512
Synonyms:
US9174982, 64
Type:
Small organic molecule
Emp. Form.:
C53H63ClN8O6S
Mol. Mass.:
975.635
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CC4CC4)CC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:67,(-4.12,-7.33,;-3.3,-6.03,;-4.84,-6.08,;-3.3,-4.49,;-1.97,-3.72,;-.63,-4.49,;.7,-3.72,;.7,-2.18,;2.03,-1.41,;2.03,.13,;.7,.9,;-.63,.13,;-.63,-1.41,;.7,2.44,;2.03,3.21,;2.03,4.75,;.7,5.52,;.7,7.06,;2.03,7.83,;-.63,7.83,;-.63,9.37,;-2.17,9.37,;.91,9.37,;-.63,10.91,;-1.97,11.68,;-1.97,13.22,;-.63,13.99,;-.63,15.53,;-1.97,16.3,;-3.3,15.53,;-4.63,16.3,;-4.63,17.84,;-3.3,18.61,;-1.97,17.84,;-5.97,18.61,;-7.3,17.84,;-8.64,18.61,;-10.18,18.61,;-9.41,19.95,;-5.97,20.15,;-4.63,20.92,;-3.86,22.26,;-3.09,20.92,;.7,13.22,;.7,11.68,;2.03,13.99,;3.37,13.22,;2.03,15.53,;-.63,4.75,;-1.97,5.52,;-3.3,4.75,;-3.3,3.21,;-4.63,2.44,;-5.97,3.21,;-7.43,2.74,;-8.34,3.98,;-7.43,5.23,;-5.97,4.75,;-4.63,5.52,;-.63,3.21,;-.63,-6.03,;-1.97,-6.8,;.7,-6.8,;2.03,-6.03,;3.37,-6.8,;3.37,-8.34,;4.7,-9.11,;2.03,-9.11,;.7,-8.34,)|
Structure:
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