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Assay Detail

CHEMBL5736738

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Binding
Competition Binding Assay: The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd and Bmax values for [3H]NLX at MOR and [3H]DPN at KOR had been determined previously. The Kd and Bmax values for [3H]DPN at DOR were determined using varying concentrations of [3H]DPN and fixed a concentration of 30 μg DOR membrane protein and 5 μM SNC80. [3H]NLX was used to label MOR whilst [3H]DPN was used to label both DOR and KOR. The potency of the new compounds in displacing the specific binding of the radioligand was determined by linear regression analysis of Hill plots. Specific (i.e., opioid receptor-related) binding at MOR, KOR and DOR was determined as the difference in binding obtained in the absence and presence of 5 μM naltrexone, U50,488 and SNC80, respectively. The IC50 values were determined and converted to Ki values using the Cheng—Prusoff equation (Rosenblum, A. et al. Exp Clin Psychopharmacol. 2008, 16 (5), 405-416).
ChEMBL ↗
66
Total Activities
20
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

Mu-type opioid receptor (CHEMBL233) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Potent and selective mu opioid receptor modulators
(2021)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 9.47 9.78
kon 22 - -
k_off 22 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5776568 — — 3 9.78
CHEMBL5821107 — — 3 9.73
CHEMBL5932511 — — 3 9.72
CHEMBL5772208 — — 3 9.69
CHEMBL4595328 — — 3 9.64
CHEMBL5965220 — — 3 9.63
CHEMBL5745418 — — 3 9.62
CHEMBL5997985 — — 3 9.60
CHEMBL5970380 — — 3 9.59
CHEMBL5900583 — — 3 9.58
CHEMBL5916764 — — 3 9.54
CHEMBL5890617 — — 3 9.54
CHEMBL5837803 — — 3 9.53
CHEMBL19019 NALTREXONE 4.0 6 9.48
CHEMBL5943700 — — 3 9.44
CHEMBL6029450 — — 3 9.36
CHEMBL5768232 — — 3 9.36
CHEMBL5948841 — — 3 9.12
CHEMBL5986491 — — 3 9.08
CHEMBL5897111 — — 6 8.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5776568 — Ki = 0.167 nM 9.78
CHEMBL5821107 — Ki = 0.188 nM 9.73
CHEMBL5932511 — Ki = 0.192 nM 9.72
CHEMBL5772208 — Ki = 0.203 nM 9.69
CHEMBL4595328 — Ki = 0.229 nM 9.64
CHEMBL5965220 — Ki = 0.235 nM 9.63
CHEMBL5745418 — Ki = 0.241 nM 9.62
CHEMBL5997985 — Ki = 0.25 nM 9.60
CHEMBL5970380 — Ki = 0.259 nM 9.59
CHEMBL5900583 — Ki = 0.264 nM 9.58
CHEMBL5890617 — Ki = 0.287 nM 9.54
CHEMBL5916764 — Ki = 0.288 nM 9.54
CHEMBL5837803 — Ki = 0.293 nM 9.53
CHEMBL19019 NALTREXONE Ki = 0.33 nM 9.48
CHEMBL19019 NALTREXONE Ki = 0.33 nM 9.48
CHEMBL5943700 — Ki = 0.363 nM 9.44
CHEMBL5768232 — Ki = 0.434 nM 9.36
CHEMBL6029450 — Ki = 0.437 nM 9.36
CHEMBL5948841 — Ki = 0.763 nM 9.12
CHEMBL5986491 — Ki = 0.837 nM 9.08
CHEMBL5897111 — Ki = 1.11 nM 8.96
CHEMBL5897111 — Ki = 1.11 nM 8.96
CHEMBL5997985 — kon = - — -
CHEMBL5997985 — k_off = - s-1 -
CHEMBL5821107 — k_off = - s-1 -
CHEMBL5821107 — kon = - — -
CHEMBL5768232 — kon = - — -
CHEMBL19019 NALTREXONE kon = - — -
CHEMBL19019 NALTREXONE k_off = - s-1 -
CHEMBL5897111 — kon = - — -
CHEMBL5897111 — k_off = - s-1 -
CHEMBL5943700 — kon = - — -
CHEMBL5943700 — k_off = - s-1 -
CHEMBL5916764 — kon = - — -
CHEMBL5916764 — k_off = - s-1 -
CHEMBL5900583 — kon = - — -
CHEMBL5745418 — kon = - — -
CHEMBL5745418 — k_off = - s-1 -
CHEMBL5970380 — k_off = - s-1 -
CHEMBL5970380 — kon = - — -
CHEMBL5776568 — kon = - — -
CHEMBL5965220 — k_off = - s-1 -
CHEMBL5965220 — kon = - — -
CHEMBL5776568 — k_off = - s-1 -
CHEMBL5932511 — k_off = - s-1 -
CHEMBL5932511 — kon = - — -
CHEMBL5772208 — kon = - — -
CHEMBL5890617 — k_off = - s-1 -
CHEMBL5890617 — kon = - — -
CHEMBL5772208 — k_off = - s-1 -