Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM50201736
Substrate
n/a
Meas. Tech.
ChEMBL_1623373 (CHEMBL3865725)
IC50
573±n/a nM
Citation
 Lu, Y; Wu, S; Yue, Y; He, S; Li, J; Tang, J; Wang, W; Zhou, HB Gossypol with Hydrophobic Linear Esters Exhibits Enhanced Antitumor Activity as an Inhibitor of Antiapoptotic Proteins. ACS Med Chem Lett 7:1185-1190 (2016) [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:
BDBM50201736
Synonyms:
CHEMBL1962390
Type:
Small organic molecule
Emp. Form.:
C34H36N2O10
Mol. Mass.:
632.657
SMILES:
CC(C)C1=C(O)C(=O)\C(=C/NCC(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCC(O)=O)c2c1O |c:3,t:33,(2.5,-24.54,;3.83,-23.77,;5.17,-24.53,;3.83,-22.23,;2.49,-21.46,;1.16,-22.22,;2.49,-19.91,;1.16,-19.14,;3.82,-19.14,;3.82,-17.6,;2.48,-16.83,;2.48,-15.29,;1.14,-14.53,;-.19,-15.3,;1.14,-12.99,;5.16,-19.9,;6.48,-19.13,;6.53,-17.89,;7.82,-19.89,;7.83,-21.44,;9.17,-22.21,;6.49,-22.21,;5.16,-21.45,;9.14,-19.12,;9.13,-17.58,;7.79,-16.82,;10.45,-16.8,;11.8,-17.56,;13.12,-16.79,;13.11,-15.25,;14.43,-14.47,;11.76,-14.49,;14.45,-17.54,;15.78,-16.76,;14.47,-19.08,;15.81,-19.84,;13.14,-19.86,;13.15,-21.4,;14.49,-22.16,;14.5,-23.7,;13.17,-24.48,;11.83,-23.71,;13.18,-26.02,;11.81,-19.1,;10.48,-19.88,;10.49,-21.42,)|
Structure:
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