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Assay Detail

CHEMBL5735447

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Binding
Exemplary MCL-1 Inhibitors Bind MCL-1: The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay. Tb-anti-GST antibody was purchased from Invitrogen (Catalog No. PV4216). The ability of exemplary MCL-1 inhibitors Example 1 to Example 3 to compete with probe F-Bak for binding MCL-1 was demonstrated using a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay.MethodFor the assay, an acoustic dispenser was used to prepare dilution series from 10 mM test compounds in 100% DMSO and directly transfer 160 nL into low volume 384-well assay plates. 8 μL of a protein/probe/antibody mix was then added to each well resulting in final concentrations listed below: Test compound: 11 three-fold dilutions beginning at 25 μMProtein: GST-MCL-1  1 nM Antibody Tb-anti-GST  1 nM Probe: F-Bak 100 nMThe samples were then mixed on a shaker for 1 minute and incubated for an additional 2 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-his antibody) emission filters. Dissociation constants (Ki) were determined using Wang's equation (Wang, 1995, FEBS Lett. 360:111-114). The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) or fetal bovine serum (FBS).
ChEMBL ↗
159
Total Activities
53
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Induced myeloid leukemia cell differentiation protein Mcl-1 (CHEMBL4361) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Macrocyclic MCL-1 inhibitors and methods of use
(2020)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 53 10.27 10.96
kon 53 - -
k_off 53 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5799571 — — 3 10.96
CHEMBL5768839 — — 3 10.96
CHEMBL5775900 — — 3 10.92
CHEMBL5902520 — — 3 10.89
CHEMBL5809179 — — 3 10.89
CHEMBL5845523 — — 3 10.85
CHEMBL5792786 — — 3 10.82
CHEMBL5897821 — — 3 10.80
CHEMBL5949309 — — 3 10.77
CHEMBL5960151 — — 3 10.74
CHEMBL5837883 — — 3 10.70
CHEMBL6022463 — — 3 10.70
CHEMBL5978854 — — 3 10.66
CHEMBL5768089 — — 3 10.66
CHEMBL5748363 — — 3 10.66
CHEMBL5977386 — — 3 10.64
CHEMBL6015268 — — 3 10.59
CHEMBL5968827 — — 3 10.57
CHEMBL5952402 — — 3 10.52
CHEMBL5888149 — — 3 10.48
CHEMBL6010121 — — 3 10.44
CHEMBL5555963 — — 3 10.44
CHEMBL5901551 — — 3 10.42
CHEMBL6021076 — — 3 10.38
CHEMBL5750301 — — 3 10.32
CHEMBL5935387 — — 3 10.32
CHEMBL5899130 — — 3 10.29
CHEMBL6033457 ABBV-467 1.0 3 10.28
CHEMBL5826076 — — 3 10.26
CHEMBL5873283 — — 3 10.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5768839 — Ki = 0.011 nM 10.96
CHEMBL5799571 — Ki = 0.011 nM 10.96
CHEMBL5775900 — Ki = 0.012 nM 10.92
CHEMBL5809179 — Ki = 0.013 nM 10.89
CHEMBL5902520 — Ki = 0.013 nM 10.89
CHEMBL5845523 — Ki = 0.014 nM 10.85
CHEMBL5792786 — Ki = 0.015 nM 10.82
CHEMBL5897821 — Ki = 0.016 nM 10.80
CHEMBL5949309 — Ki = 0.017 nM 10.77
CHEMBL5960151 — Ki = 0.018 nM 10.74
CHEMBL5837883 — Ki = 0.02 nM 10.70
CHEMBL6022463 — Ki = 0.02 nM 10.70
CHEMBL5768089 — Ki = 0.022 nM 10.66
CHEMBL5978854 — Ki = 0.022 nM 10.66
CHEMBL5748363 — Ki = 0.022 nM 10.66
CHEMBL5977386 — Ki = 0.023 nM 10.64
CHEMBL6015268 — Ki = 0.026 nM 10.59
CHEMBL5968827 — Ki = 0.027 nM 10.57
CHEMBL5952402 — Ki = 0.03 nM 10.52
CHEMBL5888149 — Ki = 0.033 nM 10.48
CHEMBL5555963 — Ki = 0.036 nM 10.44
CHEMBL6010121 — Ki = 0.036 nM 10.44
CHEMBL5901551 — Ki = 0.038 nM 10.42
CHEMBL6021076 — Ki = 0.042 nM 10.38
CHEMBL5935387 — Ki = 0.048 nM 10.32
CHEMBL5750301 — Ki = 0.048 nM 10.32
CHEMBL5899130 — Ki = 0.051 nM 10.29
CHEMBL6033457 ABBV-467 Ki = 0.052 nM 10.28
CHEMBL5826076 — Ki = 0.055 nM 10.26
CHEMBL5873283 — Ki = 0.058 nM 10.24
CHEMBL5757876 — Ki = 0.076 nM 10.12
CHEMBL5978324 — Ki = 0.079 nM 10.10
CHEMBL5931024 — Ki = 0.09 nM 10.05
CHEMBL5995467 — Ki = 0.104 nM 9.98
CHEMBL5826024 — Ki = 0.111 nM 9.96
CHEMBL5744702 — Ki = 0.156 nM 9.81
CHEMBL5791386 — Ki = 0.184 nM 9.73
CHEMBL5864469 — Ki = 0.194 nM 9.71
CHEMBL5773801 — Ki = 0.346 nM 9.46
CHEMBL5909196 — Ki = 0.373 nM 9.43
CHEMBL5810188 — Ki = 0.926 nM 9.03
CHEMBL5955039 — Ki = 4.98 nM 8.30
CHEMBL5941458 — Ki = 13.7 nM 7.86
CHEMBL5899130 — kon = - — -
CHEMBL5960151 — k_off = - s-1 -
CHEMBL5748363 — kon = - — -
CHEMBL5972639 — kon = - — -
CHEMBL5972639 — Ki = 0.004 nM -
CHEMBL6010121 — k_off = - s-1 -
CHEMBL5968827 — kon = - — -