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Assay Detail

CHEMBL649365

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

Binding
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)
ChEMBL ↗
73
Total Activities
73
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Aryl hydrocarbon receptor (CHEMBL3201) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
So SS, Karplus M.
J Med Chem (1997) 40 : 4360 -4371
PubMed 9435905 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 73 6.30 9.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL137408 — — 1 9.35
CHEMBL136453 — — 1 8.93
CHEMBL136430 — — 1 8.83
CHEMBL341968 — — 1 8.82
CHEMBL137055 — — 1 8.70
CHEMBL137665 — — 1 8.18
CHEMBL30327 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN — 1 8.00
CHEMBL138223 — — 1 7.94
CHEMBL335558 — — 1 7.82
CHEMBL135555 — — 1 7.81
CHEMBL422101 — — 1 7.77
CHEMBL336463 — — 1 7.60
CHEMBL136710 — — 1 7.39
CHEMBL343049 — — 1 7.33
CHEMBL136782 — — 1 7.17
CHEMBL136335 — — 1 7.15
CHEMBL137304 — — 1 7.13
CHEMBL137220 — — 1 7.10
CHEMBL135026 — — 1 7.03
CHEMBL344919 — — 1 6.92
CHEMBL342696 POLYCHLORINATED BIPHENYL 126 — 1 6.89
CHEMBL137849 — — 1 6.80
CHEMBL342648 — — 1 6.70
CHEMBL334374 — — 1 6.70
CHEMBL137477 — — 1 6.70
CHEMBL136882 — — 1 6.66
CHEMBL136184 — — 1 6.66
CHEMBL136729 — — 1 6.66
CHEMBL342717 — — 1 6.64
CHEMBL343494 — — 1 6.57

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL137408 — EC50 = 0.4467 nM 9.35
CHEMBL136453 — EC50 = 1.169 nM 8.93
CHEMBL136430 — EC50 = 1.479 nM 8.83
CHEMBL341968 — EC50 = 1.5 nM 8.82
CHEMBL137055 — EC50 = 2.0 nM 8.70
CHEMBL137665 — EC50 = 6.607 nM 8.18
CHEMBL30327 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN EC50 = 10.0 nM 8.00
CHEMBL138223 — EC50 = 11.51 nM 7.94
CHEMBL335558 — EC50 = 15.14 nM 7.82
CHEMBL135555 — EC50 = 15.49 nM 7.81
CHEMBL422101 — EC50 = 16.98 nM 7.77
CHEMBL336463 — EC50 = 25.12 nM 7.60
CHEMBL136710 — EC50 = 41.02 nM 7.39
CHEMBL343049 — EC50 = 46.77 nM 7.33
CHEMBL136782 — EC50 = 67.76 nM 7.17
CHEMBL136335 — EC50 = 70.96 nM 7.15
CHEMBL137304 — EC50 = 74.13 nM 7.13
CHEMBL137220 — EC50 = 79.43 nM 7.10
CHEMBL135026 — EC50 = 92.9 nM 7.03
CHEMBL344919 — EC50 = 119.95 nM 6.92
CHEMBL342696 POLYCHLORINATED BIPHENYL 126 EC50 = 130.02 nM 6.89
CHEMBL137849 — EC50 = 159.96 nM 6.80
CHEMBL342648 — EC50 = 199.99 nM 6.70
CHEMBL334374 — EC50 = 199.99 nM 6.70
CHEMBL137477 — EC50 = 199.99 nM 6.70
CHEMBL136882 — EC50 = 219.79 nM 6.66
CHEMBL136729 — EC50 = 219.28 nM 6.66
CHEMBL136184 — EC50 = 219.79 nM 6.66
CHEMBL342717 — EC50 = 230.14 nM 6.64
CHEMBL343494 — EC50 = 269.77 nM 6.57
CHEMBL136116 — EC50 = 279.9 nM 6.55
CHEMBL139414 — EC50 = 295.12 nM 6.53
CHEMBL136843 — EC50 = 349.95 nM 6.46
CHEMBL134683 — EC50 = 349.95 nM 6.46
CHEMBL134370 — EC50 = 399.94 nM 6.40
CHEMBL334874 — EC50 = 449.78 nM 6.35
CHEMBL344161 — EC50 = 709.58 nM 6.15
CHEMBL136222 — EC50 = 794.33 nM 6.10
CHEMBL136844 — EC50 = 1000.0 nM 6.00
CHEMBL336698 — EC50 = 1099.01 nM 5.96
CHEMBL343583 — EC50 = 1300.17 nM 5.89
CHEMBL136345 — EC50 = 1300.17 nM 5.89
CHEMBL136982 — EC50 = 3097.42 nM 5.51
CHEMBL342045 — EC50 = 3198.9 nM 5.50
CHEMBL273442 — EC50 = 4102.04 nM 5.39
CHEMBL341816 — EC50 = 4265.8 nM 5.37
CHEMBL138121 — EC50 = 4365.16 nM 5.36
CHEMBL139585 — EC50 = 4720.63 nM 5.33
CHEMBL136129 — EC50 = 5000.35 nM 5.30
CHEMBL337805 — EC50 = 6456.54 nM 5.19