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Assay Detail

CHEMBL651677

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Binding affinity for rat benzodiazepine receptor inverse agonist site
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 5 — Multiple protein complex / RNA
Curated By Autocuration

Target

GABA-A receptor; anion channel (CHEMBL1907607)
Type PROTEIN COMPLEX GROUP
Organism Rattus norvegicus

Publication

Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.
Silverman BD, Platt DE.
J Med Chem (1996) 39 : 2129 -2140
PubMed 8667357 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 6.76 10.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3144739 1 10.00
CHEMBL19732 CGS-8216 1 9.40
CHEMBL20042 CGS-9896 1 9.22
CHEMBL69719 1 8.55
CHEMBL301605 1 8.40
CHEMBL11709 1 8.30
CHEMBL307783 1 8.00
CHEMBL66273 1 8.00
CHEMBL52750 1 7.96
CHEMBL299250 1 7.62
CHEMBL298561 1 7.35
CHEMBL66274 1 7.08
CHEMBL66902 1 7.01
CHEMBL54228 1 6.91
CHEMBL53229 1 6.90
CHEMBL69336 1 6.80
CHEMBL304273 1 6.65
CHEMBL69488 1 6.61
CHEMBL67774 1 6.60
CHEMBL67421 1 6.30
CHEMBL66487 1 6.17
CHEMBL302056 1 6.15
CHEMBL67951 1 6.12
CHEMBL299060 1 5.93
CHEMBL275224 NORHARMANE 1 5.79
CHEMBL55630 1 5.77
CHEMBL69282 1 5.72
CHEMBL53230 1 5.71
CHEMBL66841 1 5.62
CHEMBL303932 1 5.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3144739 IC50 = 0.1 nM 10.00
CHEMBL19732 CGS-8216 IC50 = 0.3999 nM 9.40
CHEMBL20042 CGS-9896 IC50 = 0.5998 nM 9.22
CHEMBL69719 IC50 = 2.799 nM 8.55
CHEMBL301605 IC50 = 3.999 nM 8.40
CHEMBL11709 IC50 = 5.0 nM 8.30
CHEMBL307783 IC50 = 10.0 nM 8.00
CHEMBL66273 IC50 = 10.0 nM 8.00
CHEMBL52750 IC50 = 11.02 nM 7.96
CHEMBL299250 IC50 = 23.99 nM 7.62
CHEMBL298561 IC50 = 44.98 nM 7.35
CHEMBL66274 IC50 = 82.99 nM 7.08
CHEMBL66902 IC50 = 97.95 nM 7.01
CHEMBL54228 IC50 = 123.88 nM 6.91
CHEMBL53229 IC50 = 125.03 nM 6.90
CHEMBL69336 IC50 = 157.04 nM 6.80
CHEMBL304273 IC50 = 223.87 nM 6.65
CHEMBL69488 IC50 = 244.91 nM 6.61
CHEMBL67774 IC50 = 250.03 nM 6.60
CHEMBL67421 IC50 = 500.03 nM 6.30
CHEMBL66487 IC50 = 680.77 nM 6.17
CHEMBL302056 IC50 = 714.5 nM 6.15
CHEMBL67951 IC50 = 749.89 nM 6.12
CHEMBL299060 IC50 = 1164.13 nM 5.93
CHEMBL275224 NORHARMANE IC50 = 1621.81 nM 5.79
CHEMBL55630 IC50 = 1698.24 nM 5.77
CHEMBL69282 IC50 = 1918.67 nM 5.72
CHEMBL53230 IC50 = 1972.42 nM 5.71
CHEMBL66841 IC50 = 2398.83 nM 5.62
CHEMBL303932 IC50 = 5000.35 nM 5.30
CHEMBL69006 IC50 = 6854.88 nM 5.16
CHEMBL12063 IC50 = 7533.56 nM 5.12
CHEMBL70086 IC50 = 9204.5 nM 5.04
CHEMBL12014 HARMAN IC50 = 12387.97 nM 4.91
CHEMBL67772 IC50 = 26001.6 nM 4.58
CHEMBL441986 IC50 = 250034.54 nM -