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Assay Detail

CHEMBL5738464

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Binding
Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay): The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-2 (amino acids 1-211, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 5) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-2 protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
ChEMBL ↗
180
Total Activities
26
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 4 — Cell-line / Tissue
Curated By Autocuration

Target

BCL2/BAD (CHEMBL5169266) ↗
Type PROTEIN-PROTEIN INTERACTION
Organism Homo sapiens

Publication

Substituted macrocyclic indole derivatives
(2022)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 60 4.79 4.91
kon 60 - -
k_off 60 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5861078 — — 3 4.91
CHEMBL6061347 — — 3 4.88
CHEMBL5800744 — — 6 4.85
CHEMBL5860779 — — 9 4.84
CHEMBL5849709 — — 9 4.82
CHEMBL5762188 — — 9 4.80
CHEMBL5808872 — — 9 4.79
CHEMBL5827427 — — 9 4.74
CHEMBL5758636 — — 3 4.71
CHEMBL5889625 — — 9 -
CHEMBL5799393 — — 9 -
CHEMBL5946511 — — 9 -
CHEMBL5832393 — — 9 -
CHEMBL6037958 — — 9 -
CHEMBL5956315 — — 3 -
CHEMBL5744208 — — 9 -
CHEMBL5950339 — — 9 -
CHEMBL5889903 — — 3 -
CHEMBL5757645 — — 9 -
CHEMBL5903890 — — 9 -
CHEMBL5802940 — — 6 -
CHEMBL5846128 — — 6 -
CHEMBL5773045 — — 3 -
CHEMBL5752265 — — 6 -
CHEMBL5788230 — — 3 -
CHEMBL5860185 — — 9 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5861078 — IC50 = 12200.0 nM 4.91
CHEMBL6061347 — IC50 = 13200.0 nM 4.88
CHEMBL5800744 — IC50 = 14100.0 nM 4.85
CHEMBL5860779 — IC50 = 14600.0 nM 4.84
CHEMBL5849709 — IC50 = 15100.0 nM 4.82
CHEMBL5762188 — IC50 = 15900.0 nM 4.80
CHEMBL5808872 — IC50 = 16300.0 nM 4.79
CHEMBL5849709 — IC50 = 16300.0 nM 4.79
CHEMBL5762188 — IC50 = 17000.0 nM 4.77
CHEMBL5808872 — IC50 = 17800.0 nM 4.75
CHEMBL5849709 — IC50 = 18300.0 nM 4.74
CHEMBL5827427 — IC50 = 18100.0 nM 4.74
CHEMBL5808872 — IC50 = 18600.0 nM 4.73
CHEMBL5758636 — IC50 = 19600.0 nM 4.71
CHEMBL5827427 — IC50 = 19300.0 nM 4.71
CHEMBL5827427 — kon = - — -
CHEMBL5800744 — k_off = - s-1 -
CHEMBL5827427 — k_off = - s-1 -
CHEMBL5860185 — IC50 > 20000.0 nM -
CHEMBL5860185 — kon = - — -
CHEMBL5860185 — k_off = - s-1 -
CHEMBL5860185 — IC50 > 20000.0 nM -
CHEMBL5860185 — kon = - — -
CHEMBL5860185 — k_off = - s-1 -
CHEMBL5860185 — IC50 > 20000.0 nM -
CHEMBL5860185 — kon = - — -
CHEMBL5860185 — k_off = - s-1 -
CHEMBL5889903 — IC50 > 20000.0 nM -
CHEMBL5889903 — kon = - — -
CHEMBL5889903 — k_off = - s-1 -
CHEMBL5757645 — IC50 > 20000.0 nM -
CHEMBL5757645 — kon = - — -
CHEMBL5849709 — k_off = - s-1 -
CHEMBL5757645 — k_off = - s-1 -
CHEMBL5860779 — k_off = - s-1 -
CHEMBL5860779 — kon = - — -
CHEMBL5860779 — k_off = - s-1 -
CHEMBL5956315 — IC50 > 20000.0 nM -
CHEMBL5956315 — kon = - — -
CHEMBL5956315 — k_off = - s-1 -
CHEMBL5849709 — kon = - — -
CHEMBL5827427 — k_off = - s-1 -
CHEMBL5849709 — kon = - — -
CHEMBL5849709 — k_off = - s-1 -
CHEMBL5849709 — kon = - — -
CHEMBL5849709 — k_off = - s-1 -
CHEMBL5827427 — kon = - — -
CHEMBL5827427 — k_off = - s-1 -
CHEMBL5827427 — IC50 > 20000.0 nM -
CHEMBL5827427 — kon = - — -