Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM555342
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50
<10±n/a nM
Citation
 Pinchman, JR; Huang, PQ; Bunker, KD; Sit, RK; Samatar, AA Benzamide compounds US Patent  US11344546 Publication Date 5/31/2022 
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:
BDBM555342
Synonyms:
(R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((4-(4-(2-hydroxyethyl)piperazin-1-yl)-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide | US11344546, Example 69
Type:
Small organic molecule
Emp. Form.:
C49H63F5N6O6S3
Mol. Mass.:
1023.248
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCN(CCO)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)=C(C1)C12CC(C1)(C2)C(F)F |r,c:63|
Structure:
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