Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189566
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:
BDBM189566
Synonyms:
US9174982, 128
Type:
Small organic molecule
Emp. Form.:
C54H66ClN9O7S
Mol. Mass.:
1020.676
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:70,(3.64,-9.31,;2.82,-8,;4.36,-8.06,;2.82,-6.46,;1.49,-5.69,;.16,-6.46,;-1.18,-5.69,;-1.18,-4.15,;.16,-3.38,;.16,-1.84,;-1.18,-1.07,;-2.51,-1.84,;-2.51,-3.38,;-1.18,.47,;.16,1.24,;.16,2.78,;-1.18,3.55,;-1.18,5.09,;-2.51,5.86,;.16,5.86,;.16,7.4,;1.7,7.4,;-1.38,7.4,;.16,8.94,;-1.18,9.71,;-1.18,11.25,;.16,12.02,;.16,13.56,;-1.18,14.33,;-2.51,13.56,;-3.85,14.33,;-3.85,15.87,;-2.51,16.64,;-1.18,15.87,;-5.18,16.64,;-6.51,15.87,;-7.85,16.64,;-7.85,18.18,;-6.51,18.95,;-5.18,18.18,;-9.18,18.95,;-9.18,20.49,;-10.51,21.26,;-11.85,20.49,;-11.85,18.95,;-10.51,18.18,;1.49,11.25,;1.49,9.71,;2.82,12.02,;4.16,11.25,;2.82,13.56,;-2.51,2.78,;-3.85,3.55,;-5.18,2.78,;-5.18,1.24,;-6.51,.47,;-7.85,1.24,;-9.31,.76,;-10.22,2.01,;-9.31,3.25,;-7.85,2.78,;-6.51,3.55,;-2.51,1.24,;.16,-8,;1.49,-8.77,;-1.18,-8.77,;-1.18,-10.31,;-2.51,-11.08,;-3.85,-10.31,;-5.18,-11.08,;-3.85,-8.77,;-2.51,-8,)|
Structure:
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