Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM145147
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
<0.010±n/a nM
Comments
extracted
Citation
 Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, L; Hexamer, L; Kunzer, AR; Mantei, RA; Park, C; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US9303025 Publication Date 4/5/2016 
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:
BDBM145147
Synonyms:
US8952157, 338 | US9303025, 338
Type:
Small organic molecule
Emp. Form.:
C47H52ClFN6O7S
Mol. Mass.:
899.468
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(-2.92,-15.08,;-2.11,-13.78,;-3.64,-13.83,;-2.11,-12.24,;-.77,-11.47,;.56,-12.24,;1.9,-11.47,;1.9,-9.93,;3.23,-9.16,;3.23,-7.62,;1.9,-6.85,;.56,-7.62,;.56,-9.16,;1.9,-5.31,;3.23,-4.54,;3.23,-3,;1.9,-2.23,;1.9,-.69,;.56,.08,;3.23,.08,;3.23,1.62,;4.77,1.62,;1.69,1.62,;3.23,3.16,;4.56,3.93,;4.56,5.47,;3.23,6.24,;3.23,7.78,;4.56,8.55,;4.56,10.09,;3.23,10.86,;3.23,12.4,;4.56,13.17,;4.56,14.71,;5.9,12.4,;5.9,10.86,;1.9,5.47,;1.9,3.93,;.56,6.24,;-.77,5.47,;.56,7.78,;.56,-3,;-.77,-2.23,;-2.11,-3,;-3.44,-2.23,;-4.77,-3,;-6.24,-2.52,;-7.14,-3.77,;-6.24,-5.01,;-4.77,-4.54,;-3.44,-5.31,;-2.11,-4.54,;-.77,-5.31,;.56,-4.54,;.56,-13.78,;-.77,-14.55,;1.9,-14.55,;3.23,-13.78,;4.56,-14.55,;4.56,-16.09,;5.9,-16.86,;3.23,-16.86,;1.9,-16.09,)|
Structure:
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