Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM21427
Substrate
Fluorescein-labeled BAX peptide
Meas. Tech.
Fluorescence Polarization Assay and FL5.12 Cellular Assay
Ki
9.4±n/a nM
EC50
3600±n/a nM
Citation
 Bruncko, M; Oost, TK; Belli, BA; Ding, H; Joseph, MK; Kunzer, A; Martineau, D; McClellan, WJ; Mitten, M; Ng, SC; Nimmer, PM; Oltersdorf, T; Park, CM; Petros, AM; Shoemaker, AR; Song, X; Wang, X; Wendt, MD; Zhang, H; Fesik, SW; Rosenberg, SH; Elmore, SW Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL. J Med Chem 50:641-62 (2007) [PubMed]  Article 
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:
BDBM21427
Synonyms:
4-Piperidinebenzylidene derivative, 10f | N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4-{[4-(trifluoromethyl)phenyl]methylidene}piperidin-1-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C38H40F3N5O5S2
Mol. Mass.:
767.88
SMILES:
[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescein-labeled BAX peptide
Synonyms:
n/a
Type:
fluorescein-labeled probe
Mol. Mass.:
2800.15
Organism:
n/a
Description:
n/a
Residue:
25
Sequence:
FITCQDASTKKLSECLKRIGDELDS