Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM341042
Substrate
n/a
Meas. Tech.
Fluorescence Polarisation Assay
IC50
6.40±n/a nM
Citation
 Casara, P; Le Diguarher, T; Henlin, J; Starck, J; Le Tiran, A; De Nanteuil, G; Geneste, O; Davidson, JE; Murray, JB; Chen, I; Walmsley, C; Graham, CJ; Ray, S; Maddox, D; Bedford, S Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them US Patent  US9765056 Publication Date 9/19/2017 
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:
BDBM341042
Synonyms:
1-(5-Chloro-2-{[(3S)-3-[(dimethylamino)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-N-(4-hydroxyphenyl)-5-methyl-N-(1-methyl-1H-indol-5-yl)-1H-pyrrole-3-carboxamide hydrochloride | US9765056, Example 95
Type:
Small organic molecule
Emp. Form.:
C40H38ClN5O3
Mol. Mass.:
672.214
SMILES:
CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-n1cc(cc1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)ccc2c1
Structure:
Search PDB for entries with ligand similarity: