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Assay Detail

CHEMBL857972

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Binding
In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain
ChEMBL ↗
67
Total Activities
66
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 6 — Multiple protein complex / RNA
Curated By Autocuration

Target

Neuronal acetylcholine receptor; alpha4/beta2 (CHEMBL1907596) ↗
Type PROTEIN COMPLEX
Organism Rattus norvegicus

Publication

3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor.
Gohlke H, Schwarz S, Gündisch D, Tilotta MC, Weber A, Wegge T, Seitz G.
J Med Chem (2003) 46 : 2031 -2048
PubMed 12747776 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 67 8.43 11.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL305106 — — 1 11.00
CHEMBL62858 — — 1 10.77
CHEMBL64496 — — 1 10.65
CHEMBL54586 — — 1 10.60
CHEMBL56817 DESCHLOROEPIBATIDINE — 1 10.59
CHEMBL291498 — — 1 10.57
CHEMBL56682 — — 1 10.55
CHEMBL293185 — — 1 10.55
CHEMBL62856 — — 1 10.44
CHEMBL301901 — — 1 10.35
CHEMBL444572 — — 1 10.29
CHEMBL497939 CYTISINICLINE 3.0 1 9.91
CHEMBL64138 — — 1 9.85
CHEMBL62721 — — 1 9.82
CHEMBL63102 — — 1 9.77
CHEMBL293383 — — 1 9.64
CHEMBL62765 — — 1 9.59
CHEMBL432712 — — 1 9.51
CHEMBL291398 — — 1 9.28
CHEMBL61843 — — 1 9.28
CHEMBL292266 — — 1 9.26
CHEMBL62646 — — 1 9.18
CHEMBL62795 — — 1 9.15
CHEMBL293649 — — 1 9.08
CHEMBL61901 — — 1 9.06
CHEMBL25619 — — 1 8.96
CHEMBL292952 — — 2 8.90
CHEMBL63325 — — 1 8.81
CHEMBL62975 — — 1 8.80
CHEMBL424226 — — 1 8.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL305106 — Ki = 0.01 nM 11.00
CHEMBL62858 — Ki = 0.01698 nM 10.77
CHEMBL64496 — Ki = 0.02239 nM 10.65
CHEMBL54586 — Ki = 0.02512 nM 10.60
CHEMBL56817 DESCHLOROEPIBATIDINE Ki = 0.0257 nM 10.59
CHEMBL291498 — Ki = 0.02692 nM 10.57
CHEMBL56682 — Ki = 0.02818 nM 10.55
CHEMBL293185 — Ki = 0.02818 nM 10.55
CHEMBL62856 — Ki = 0.03631 nM 10.44
CHEMBL301901 — Ki = 0.04467 nM 10.35
CHEMBL444572 — Ki = 0.05129 nM 10.29
CHEMBL497939 CYTISINICLINE Ki = 0.123 nM 9.91
CHEMBL64138 — Ki = 0.1413 nM 9.85
CHEMBL62721 — Ki = 0.1514 nM 9.82
CHEMBL63102 — Ki = 0.1698 nM 9.77
CHEMBL293383 — Ki = 0.2291 nM 9.64
CHEMBL62765 — Ki = 0.257 nM 9.59
CHEMBL432712 — Ki = 0.309 nM 9.51
CHEMBL291398 — Ki = 0.5248 nM 9.28
CHEMBL61843 — Ki = 0.5248 nM 9.28
CHEMBL292266 — Ki = 0.5495 nM 9.26
CHEMBL62646 — Ki = 0.6607 nM 9.18
CHEMBL62795 — Ki = 0.7079 nM 9.15
CHEMBL293649 — Ki = 0.8318 nM 9.08
CHEMBL61901 — Ki = 0.871 nM 9.06
CHEMBL25619 — Ki = 1.096 nM 8.96
CHEMBL292952 — Ki = 1.259 nM 8.90
CHEMBL63325 — Ki = 1.549 nM 8.81
CHEMBL62975 — Ki = 1.585 nM 8.80
CHEMBL424226 — Ki = 1.995 nM 8.70
CHEMBL292301 — Ki = 2.089 nM 8.68
CHEMBL305088 — Ki = 2.291 nM 8.64
CHEMBL294311 — Ki = 2.512 nM 8.60
CHEMBL65324 — Ki = 2.512 nM 8.60
CHEMBL294534 — Ki = 3.715 nM 8.43
CHEMBL66191 — Ki = 5.754 nM 8.24
CHEMBL64779 — Ki = 7.586 nM 8.12
CHEMBL305325 — Ki = 7.943 nM 8.10
CHEMBL291399 — Ki = 8.913 nM 8.05
CHEMBL444049 — Ki = 9.55 nM 8.02
CHEMBL302380 — Ki = 10.0 nM 8.00
CHEMBL292054 — Ki = 10.72 nM 7.97
CHEMBL293252 — Ki = 12.02 nM 7.92
CHEMBL303358 — Ki = 12.3 nM 7.91
CHEMBL305147 — Ki = 12.59 nM 7.90
CHEMBL302237 — Ki = 19.05 nM 7.72
CHEMBL292030 — Ki = 30.9 nM 7.51
CHEMBL63078 — Ki = 31.62 nM 7.50
CHEMBL64151 — Ki = 34.67 nM 7.46
CHEMBL292952 — Ki = 43.65 nM 7.36