Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM178842
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki
0.007±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:
Apoptosis regulator Bcl-2
Synonyms:
BCL2_MOUSE | Bcl-2 | Bcl2
Type:
Protein
Mol. Mass.:
26409.44
Organism:
Mus musculus (Mouse)
Description:
P10417
Residue:
236
Sequence:
MAQAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDADAAPLGAAPTPGIFSFQPESNPMPAVHRDMAARTSPLRPLVATAGPALSPVPPVVHLTLRRAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
  
Inhibitor
Name:
BDBM178842
Synonyms:
US9125913, 414
Type:
Small organic molecule
Emp. Form.:
C46H52Cl2N6O6S
Mol. Mass.:
887.913
SMILES:
COC1CCC(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(17.62,-8.45,;16.29,-9.22,;14.96,-8.45,;14.96,-6.91,;13.62,-6.14,;12.29,-6.91,;10.96,-6.14,;9.62,-6.91,;8.29,-6.14,;6.95,-6.91,;5.62,-6.14,;5.62,-4.6,;6.95,-3.83,;8.29,-4.6,;9.62,-3.83,;4.29,-3.83,;5.06,-2.5,;3.52,-5.17,;2.95,-3.06,;1.62,-3.83,;1.62,-5.37,;.29,-3.06,;-1.05,-3.83,;-2.38,-3.06,;-2.38,-1.52,;-1.05,-.75,;.29,-1.52,;1.62,-.75,;1.62,.79,;2.95,1.56,;2.95,3.1,;1.62,3.87,;.29,3.1,;-1.18,3.57,;-2.08,2.33,;-1.18,1.08,;.29,1.56,;-3.71,-.75,;-5.05,-1.52,;-6.38,-.75,;-6.38,.79,;-7.72,1.56,;-7.72,3.1,;-9.05,3.87,;-9.05,5.41,;-7.72,6.18,;-8.44,7.54,;-6.99,7.54,;-6.38,5.41,;-6.38,3.87,;-10.38,3.1,;-10.38,1.56,;-11.72,.79,;-13.05,1.56,;-14.38,.79,;-13.05,3.1,;-11.72,3.87,;-5.05,1.56,;-3.71,.79,;12.29,-8.45,;13.62,-9.22,)|
Structure:
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