Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM178636
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki
5.073±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:
BDBM178636
Synonyms:
US9125913, 202
Type:
Small organic molecule
Emp. Form.:
C48H56ClN7O6S
Mol. Mass.:
894.52
SMILES:
CN(C)C1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51,(-8.41,7.94,;-7.08,7.17,;-7.08,5.63,;-5.75,7.94,;-4.41,7.17,;-3.08,7.94,;-3.08,9.48,;-4.41,10.25,;-5.75,9.48,;-1.74,10.25,;-.41,9.48,;-.41,7.94,;.92,7.17,;2.26,7.94,;2.26,9.48,;.92,10.25,;.92,11.79,;-.41,12.56,;2.26,12.56,;3.59,7.17,;4.36,8.5,;2.82,5.83,;4.92,6.4,;4.92,4.86,;3.59,4.09,;6.26,4.09,;7.59,4.86,;8.92,4.09,;8.92,2.55,;7.59,1.78,;6.26,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;10.26,1.78,;11.59,2.55,;12.93,1.78,;12.93,.24,;14.26,-.53,;15.59,.24,;16.93,-.53,;18.26,.24,;18.26,1.78,;19.8,1.83,;19.08,3.08,;16.93,2.55,;15.59,1.78,;16.93,-2.07,;18.26,-2.84,;18.26,-4.38,;16.93,-5.15,;16.93,-6.69,;15.59,-4.38,;15.59,-2.84,;11.59,-.53,;10.26,.24,)|
Structure:
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