Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM354648
Substrate
n/a
Meas. Tech.
Fluorescence Polarisation Assay
IC50
2.00±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:
BDBM354648
Synonyms:
(1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1,5-dimethyl-1H-pyrrol-2-yl}-7-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate | US9809574, Example 800
Type:
Small organic molecule
Emp. Form.:
C46H55N5O7
Mol. Mass.:
789.9582
SMILES:
C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C |wU:1.0,44.49,wD:47.56,(-1.84,1.24,;-3.17,2.01,;-3.17,3.55,;-4.5,4.32,;-4.5,5.86,;-5.84,6.63,;-7.17,5.86,;-7.17,4.32,;-5.84,3.55,;-5.84,2.01,;-4.5,1.24,;-4.5,-.3,;-5.84,-1.07,;-3.17,-1.07,;-1.84,-.3,;-.5,-1.07,;.83,-.3,;2.17,-1.07,;2.17,-2.61,;.83,-3.38,;-.5,-2.61,;-1.84,-3.38,;-3.17,-2.61,;-4.5,-3.38,;-5.91,-2.75,;-6.94,-3.89,;-8.47,-3.73,;-9.1,-2.33,;-9.38,-4.98,;-8.75,-6.39,;-10.91,-4.82,;-11.81,-6.06,;-13.34,-5.9,;-13.97,-4.5,;-15.5,-4.33,;-13.07,-3.25,;-11.53,-3.41,;-6.17,-5.23,;-6.8,-6.63,;-4.66,-4.91,;-3.52,-5.94,;3.5,-.3,;3.5,1.24,;4.83,-1.07,;6.17,-.3,;6.17,1.24,;7.5,2.01,;8.83,1.24,;8.83,-.3,;7.5,-1.07,;10.17,2.01,;11.5,1.24,;11.5,-.3,;12.84,2.01,;14.17,1.24,;15.5,2.01,;15.5,.47,;14.17,-.3,)|
Structure:
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