Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM177838
Substrate
n/a
Meas. Tech.
Fluorescence Polarisation Assay
pH
7.4±n/a
IC50
12±n/a nM
Comments
extracted
Citation
 Le Diguarher, T; Casara, P; Starck, J; Henlin, J; Davidson, JE; Murray, JB; Graham, CJ; Chen, I; Geneste, O; Hickman, J; Depil, S; Le Tiran, A; Nyerges, M; De Nanteuil, G Indolizine compounds, a process for their preparation and pharmaceutical compositions containing them US Patent  US9120791 Publication Date 9/1/2015 
Target
Name:
Apoptosis regulator Bcl-2
Synonyms:
BCL2_MOUSE | Bcl-2 | Bcl2
Type:
Protein
Mol. Mass.:
26409.44
Organism:
Mus musculus (Mouse)
Description:
P10417
Residue:
236
Sequence:
MAQAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDADAAPLGAAPTPGIFSFQPESNPMPAVHRDMAARTSPLRPLVATAGPALSPVPPVVHLTLRRAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
  
Inhibitor
Name:
BDBM177838
Synonyms:
US9120791, Example 57
Type:
Small organic molecule
Emp. Form.:
C47H44N6O5
Mol. Mass.:
772.8895
SMILES:
CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc3OCOc3c2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1 |wU:6.5,(9.68,5.43,;10.45,6.76,;11.98,6.6,;12.89,7.84,;12.26,9.25,;13.17,10.5,;14.7,10.34,;15.32,8.93,;16.86,8.77,;17.48,7.36,;19.01,7.2,;19.92,8.45,;19.29,9.85,;17.76,10.01,;17.14,11.42,;15.6,11.58,;14.98,12.99,;13.45,13.15,;15.88,14.24,;17.41,14.07,;18.32,15.32,;17.69,16.73,;18.46,18.06,;17.1,19.15,;15.76,18.38,;16.16,16.89,;15.26,15.64,;13.72,15.8,;12.69,14.66,;11.29,15.28,;9.95,14.51,;9.95,12.97,;8.62,15.28,;8.62,16.82,;7.29,17.59,;7.29,19.13,;8.62,19.9,;8.62,21.44,;9.95,19.13,;9.95,17.59,;7.29,14.51,;7.29,12.97,;5.95,12.2,;4.62,12.97,;3.15,12.5,;2.68,11.03,;2.25,13.74,;3.15,14.99,;4.62,14.51,;5.95,15.28,;11.45,16.82,;10.42,17.96,;10.89,19.43,;12.4,19.75,;13.43,18.6,;12.95,17.14,;10.73,9.41,;9.83,8.17,)|
Structure:
Search PDB for entries with ligand similarity: