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Assay Detail

CHEMBL1909114

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

Binding
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)
1742
Total Activities
871
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type CHO
Subcellular Membrane
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

DrugMatrix in vitro pharmacology data
Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 871 5.24 5.83
Ki 871 5.72 6.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1289 HALOPROGIN 4.0 2 6.31
CHEMBL3545252 DOCETAXEL 4.0 2 6.28
CHEMBL1221512 2 6.27
CHEMBL553025 VINORELBINE 4.0 2 6.27
CHEMBL64894 GENTIAN VIOLET 4.0 2 6.25
CHEMBL221753 BENZETHONIUM CHLORIDE 2.0 2 6.19
CHEMBL305660 EBASTINE 4.0 2 6.19
CHEMBL163 RITONAVIR 4.0 2 6.06
CHEMBL17157 TERFENADINE 4.0 2 6.05
CHEMBL296419 ASTEMIZOLE 4.0 2 6.00
CHEMBL1262 OXICONAZOLE 4.0 2 5.97
CHEMBL83 TAMOXIFEN 4.0 2 5.91
CHEMBL787 MONTELUKAST 4.0 2 5.89
CHEMBL81 RALOXIFENE 4.0 2 5.88
CHEMBL19215 METERGOLINE 2.0 2 5.87
CHEMBL496 HEXACHLOROPHENE 4.0 2 5.86
CHEMBL160 CYCLOSPORINE 4.0 2 5.86
CHEMBL153062 4-NONYLPHENOL 2 5.82
CHEMBL1201469 GRAMICIDIN 4.0 2 5.82
CHEMBL954 ENCLOMIPHENE 3.0 2 5.82
CHEMBL290106 BITHIONOL 4.0 2 5.81
CHEMBL91 MICONAZOLE 4.0 2 5.79
CHEMBL1221 SULCONAZOLE 4.0 2 5.78
CHEMBL5483011 INDINAVIR 3.0 2 5.77
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 2 5.71
CHEMBL808 ECONAZOLE 4.0 2 5.70
CHEMBL428647 PACLITAXEL 4.0 2 5.69
CHEMBL114 SAQUINAVIR 4.0 2 5.68
CHEMBL404849 SULOCTIDIL 4.0 2 5.64
CHEMBL334255 CETYLPYRIDINIUM BROMIDE 2 5.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1289 HALOPROGIN Ki = 491.0 nM 6.31
CHEMBL3545252 DOCETAXEL Ki = 521.0 nM 6.28
CHEMBL553025 VINORELBINE Ki = 535.55 nM 6.27
CHEMBL1221512 Ki = 536.0 nM 6.27
CHEMBL64894 GENTIAN VIOLET Ki = 560.0 nM 6.25
CHEMBL305660 EBASTINE Ki = 644.3 nM 6.19
CHEMBL221753 BENZETHONIUM CHLORIDE Ki = 642.0 nM 6.19
CHEMBL163 RITONAVIR Ki = 874.0 nM 6.06
CHEMBL17157 TERFENADINE Ki = 892.0 nM 6.05
CHEMBL296419 ASTEMIZOLE Ki = 995.0 nM 6.00
CHEMBL1262 OXICONAZOLE Ki = 1073.9 nM 5.97
CHEMBL83 TAMOXIFEN Ki = 1223.0 nM 5.91
CHEMBL787 MONTELUKAST Ki = 1274.0 nM 5.89
CHEMBL81 RALOXIFENE Ki = 1330.0 nM 5.88
CHEMBL19215 METERGOLINE Ki = 1357.0 nM 5.87
CHEMBL160 CYCLOSPORINE Ki = 1380.0 nM 5.86
CHEMBL496 HEXACHLOROPHENE Ki = 1379.7 nM 5.86
CHEMBL1289 HALOPROGIN IC50 = 1474.0 nM 5.83
CHEMBL954 ENCLOMIPHENE Ki = 1508.0 nM 5.82
CHEMBL1201469 GRAMICIDIN Ki = 1521.0 nM 5.82
CHEMBL153062 4-NONYLPHENOL Ki = 1505.0 nM 5.82
CHEMBL290106 BITHIONOL Ki = 1553.0 nM 5.81
CHEMBL3545252 DOCETAXEL IC50 = 1563.0 nM 5.81
CHEMBL553025 VINORELBINE IC50 = 1606.2 nM 5.79
CHEMBL1221512 IC50 = 1609.0 nM 5.79
CHEMBL91 MICONAZOLE Ki = 1613.0 nM 5.79
CHEMBL1221 SULCONAZOLE Ki = 1653.0 nM 5.78
CHEMBL64894 GENTIAN VIOLET IC50 = 1679.0 nM 5.78
CHEMBL5483011 INDINAVIR Ki = 1700.0 nM 5.77
CHEMBL221753 BENZETHONIUM CHLORIDE IC50 = 1925.0 nM 5.72
CHEMBL283196 ALPHA-NAPHTHOFLAVONE Ki = 1949.0 nM 5.71
CHEMBL305660 EBASTINE IC50 = 1932.9 nM 5.71
CHEMBL808 ECONAZOLE Ki = 2011.0 nM 5.70
CHEMBL428647 PACLITAXEL Ki = 2042.0 nM 5.69
CHEMBL114 SAQUINAVIR Ki = 2071.0 nM 5.68
CHEMBL404849 SULOCTIDIL Ki = 2264.3 nM 5.64
CHEMBL163 RITONAVIR IC50 = 2622.0 nM 5.58
CHEMBL17157 TERFENADINE IC50 = 2677.0 nM 5.57
CHEMBL334255 CETYLPYRIDINIUM BROMIDE Ki = 2877.0 nM 5.54
CHEMBL296419 ASTEMIZOLE IC50 = 2986.0 nM 5.53
CHEMBL411 DIETHYLSTILBESTROL Ki = 3184.0 nM 5.50
CHEMBL1262 OXICONAZOLE IC50 = 3221.8 nM 5.49
CHEMBL104 CLOTRIMAZOLE Ki = 3383.0 nM 5.47
CHEMBL83 TAMOXIFEN IC50 = 3670.0 nM 5.43
CHEMBL787 MONTELUKAST IC50 = 3822.0 nM 5.42
CHEMBL81 RALOXIFENE IC50 = 3989.0 nM 5.40
CHEMBL19215 METERGOLINE IC50 = 4071.0 nM 5.39
CHEMBL160 CYCLOSPORINE IC50 = 4139.0 nM 5.38
CHEMBL7002 CIGLITAZONE Ki = 4192.0 nM 5.38
CHEMBL496 HEXACHLOROPHENE IC50 = 4139.2 nM 5.38