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Assay Detail

CHEMBL4629986

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

Binding
Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assay
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Histamine H1 receptor (CHEMBL231)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Late-Stage Lead Diversification Coupled with Quantitative Nuclear Magnetic Resonance Spectroscopy to Identify New Structure-Activity Relationship Vectors at Nanomole-Scale Synthesis: Application to Loratadine, a Human Histamine H1 Receptor Inverse Agonist.
Lall MS, Bassyouni A, Bradow J, Brown M, Bundesmann M, Chen J, Ciszewski G, Hagen AE, Hyek D, Jenkinson S, Liu B, Obach RS, Pan S, Reilly U, Sach N, Smaltz DJ, Spracklin DK, Starr J, Wagenaar M, Walker GS.
J Med Chem (2020) 63 : 7268 -7292
PubMed 32462865 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 26 6.83 7.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1172 DESLORATADINE 4.0 1 7.62
CHEMBL4647038 1 7.55
CHEMBL4647890 1 7.32
CHEMBL4637657 1 7.29
CHEMBL998 LORATADINE 4.0 1 6.72
CHEMBL3357022 1 6.70
CHEMBL4642460 1 6.69
CHEMBL4638183 1 6.64
CHEMBL4639563 1 6.59
CHEMBL4633975 1 6.57
CHEMBL4649344 1 6.37
CHEMBL4645629 1 6.34
CHEMBL4642056 1 6.34
CHEMBL4633258 1 -
CHEMBL4632720 1 -
CHEMBL4632879 1 -
CHEMBL4649329 1 -
CHEMBL4648718 1 -
CHEMBL4634809 1 -
CHEMBL3357023 1 -
CHEMBL4633111 1 -
CHEMBL4634510 1 -
CHEMBL4646840 1 -
CHEMBL4641273 1 -
CHEMBL4643460 1 -
CHEMBL4649552 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1172 DESLORATADINE Kd = 24.0 nM 7.62
CHEMBL4647038 Kd = 28.0 nM 7.55
CHEMBL4647890 Kd = 48.0 nM 7.32
CHEMBL4637657 Kd = 51.0 nM 7.29
CHEMBL998 LORATADINE Kd = 190.0 nM 6.72
CHEMBL3357022 Kd = 199.0 nM 6.70
CHEMBL4642460 Kd = 206.0 nM 6.69
CHEMBL4638183 Kd = 227.0 nM 6.64
CHEMBL4639563 Kd = 257.0 nM 6.59
CHEMBL4633975 Kd = 271.0 nM 6.57
CHEMBL4649344 Kd = 423.0 nM 6.37
CHEMBL4645629 Kd = 454.0 nM 6.34
CHEMBL4642056 Kd = 454.0 nM 6.34
CHEMBL4633258 Kd > 1000.0 nM -
CHEMBL4632720 Kd > 1000.0 nM -
CHEMBL4632879 Kd > 1000.0 nM -
CHEMBL4649329 Kd > 1000.0 nM -
CHEMBL4648718 Kd > 1000.0 nM -
CHEMBL4634809 Kd > 1000.0 nM -
CHEMBL3357023 Kd > 1000.0 nM -
CHEMBL4633111 Kd > 1000.0 nM -
CHEMBL4634510 Kd > 1000.0 nM -
CHEMBL4646840 Kd > 1000.0 nM -
CHEMBL4641273 Kd > 1000.0 nM -
CHEMBL4643460 Kd > 1000.0 nM -
CHEMBL4649552 Kd > 1000.0 nM -