Reaction Details  Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM353042
Substrate
n/a
Meas. Tech.
Fluorescence Polarisation Assay
IC50
2.50±n/a nM
Citation
 Davidson, JE; Murray, JB; Chen, I; Walmsley, C; Dodsworth, M; Meissner, JW; Brough, P; Fejes, I; Tatai, J; Nyerges, M; Kotschy, A; Szlávik, Z; Geneste, O; Le Tiran, A; Le Diguarher, T; Henlin, J; Starck, J; Guillouzic, A; De Nanteuil, G Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them US Patent  US9809574 Publication Date 11/7/2017
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:
BDBM353042
Synonyms:
N,1,2-trimethyl-5-{7-[(3S)-3-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2-(2-phenylacetyl)-1,2,3,4-tetrahydroisoquinolin-6-yl}-N-phenyl-1H-pyrrole-3-carboxamide | US9809574, Example 117
Type:
Small organic molecule
Emp. Form.:
C46H49N5O4
Mol. Mass.:
735.9124
SMILES:
CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: