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Assay Detail

CHEMBL1120420

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

Binding
Displacement of [3H]neurokinin A from human NK2 receptor
ChEMBL ↗
49
Total Activities
49
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Substance-K receptor (CHEMBL2327) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor.
Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.
J Med Chem (2010) 53 : 4148 -4165
PubMed 20408549 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 49 9.36 10.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1083850 — — 1 10.30
CHEMBL1083858 — — 1 10.10
CHEMBL1083974 — — 1 10.10
CHEMBL1083879 — — 1 10.00
CHEMBL1083863 — — 1 9.90
CHEMBL1083869 — — 1 9.90
CHEMBL1083873 — — 1 9.80
CHEMBL1083874 — — 1 9.80
CHEMBL1083875 — — 1 9.80
CHEMBL1083870 — — 1 9.80
CHEMBL1083866 — — 1 9.60
CHEMBL1083846 — — 1 9.60
CHEMBL1083849 — — 1 9.60
CHEMBL1083872 — — 1 9.60
CHEMBL1083871 — — 1 9.50
CHEMBL447439 — — 1 9.50
CHEMBL1083561 — — 1 9.50
CHEMBL1084160 — — 1 9.50
CHEMBL1083878 — — 1 9.50
CHEMBL1083855 — — 1 9.50
CHEMBL1083877 — — 1 9.50
CHEMBL1084158 — — 1 9.40
CHEMBL1083848 — — 1 9.40
CHEMBL1083880 — — 1 9.40
CHEMBL1083865 — — 1 9.30
CHEMBL1083861 — — 1 9.30
CHEMBL1083560 — — 1 9.30
CHEMBL1084159 — — 1 9.30
CHEMBL1083854 — — 1 9.30
CHEMBL1084162 — — 1 9.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1083850 — Ki = 0.05012 nM 10.30
CHEMBL1083858 — Ki = 0.07943 nM 10.10
CHEMBL1083974 — Ki = 0.07943 nM 10.10
CHEMBL1083879 — Ki = 0.1 nM 10.00
CHEMBL1083863 — Ki = 0.1259 nM 9.90
CHEMBL1083869 — Ki = 0.1259 nM 9.90
CHEMBL1083870 — Ki = 0.1585 nM 9.80
CHEMBL1083875 — Ki = 0.1585 nM 9.80
CHEMBL1083874 — Ki = 0.1585 nM 9.80
CHEMBL1083873 — Ki = 0.1585 nM 9.80
CHEMBL1083872 — Ki = 0.2512 nM 9.60
CHEMBL1083849 — Ki = 0.2512 nM 9.60
CHEMBL1083846 — Ki = 0.2512 nM 9.60
CHEMBL1083866 — Ki = 0.2512 nM 9.60
CHEMBL1083877 — Ki = 0.3162 nM 9.50
CHEMBL1083871 — Ki = 0.3162 nM 9.50
CHEMBL1083855 — Ki = 0.3162 nM 9.50
CHEMBL1083878 — Ki = 0.3162 nM 9.50
CHEMBL1084160 — Ki = 0.3162 nM 9.50
CHEMBL1083561 — Ki = 0.3162 nM 9.50
CHEMBL447439 — Ki = 0.3162 nM 9.50
CHEMBL1084158 — Ki = 0.3981 nM 9.40
CHEMBL1083848 — Ki = 0.3981 nM 9.40
CHEMBL1083880 — Ki = 0.3981 nM 9.40
CHEMBL1083865 — Ki = 0.5012 nM 9.30
CHEMBL1084162 — Ki = 0.5012 nM 9.30
CHEMBL1083854 — Ki = 0.5012 nM 9.30
CHEMBL1083560 — Ki = 0.5012 nM 9.30
CHEMBL1083861 — Ki = 0.5012 nM 9.30
CHEMBL1084159 — Ki = 0.5012 nM 9.30
CHEMBL1083864 — Ki = 0.631 nM 9.20
CHEMBL1084161 — Ki = 0.631 nM 9.20
CHEMBL1083559 — Ki = 0.631 nM 9.20
CHEMBL1084765 — Ki = 0.631 nM 9.20
CHEMBL1083847 — Ki = 0.631 nM 9.20
CHEMBL1084163 — Ki = 0.631 nM 9.20
CHEMBL1083851 — Ki = 0.631 nM 9.20
CHEMBL1083867 — Ki = 0.631 nM 9.20
CHEMBL1084164 — Ki = 0.7943 nM 9.10
CHEMBL1083860 — Ki = 0.7943 nM 9.10
CHEMBL1083868 — Ki = 0.7943 nM 9.10
CHEMBL1083852 — Ki = 1.0 nM 9.00
CHEMBL1083876 — Ki = 1.0 nM 9.00
CHEMBL1083856 — Ki = 1.259 nM 8.90
CHEMBL1084251 — Ki = 1.995 nM 8.70
CHEMBL1083853 — Ki = 1.995 nM 8.70
CHEMBL1083857 — Ki = 1.995 nM 8.70
CHEMBL1083859 — Ki = 1.995 nM 8.70
CHEMBL1083862 — Ki = 15.85 nM 7.80