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Assay Detail

CHEMBL870934

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

Binding
Displacement of [3H]oxytocin from human OTR
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Oxytocin receptor (CHEMBL2049)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 3. Synthesis, pharmacokinetics, and in vivo potency.
Borthwick AD, Davies DE, Exall AM, Hatley RJ, Hughes JA, Irving WR, Livermore DG, Sollis SL, Nerozzi F, Valko KL, Allen MJ, Perren M, Shabbir SS, Woollard PM, Price MA.
J Med Chem (2006) 49 : 4159 -4170
PubMed 16821776 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 17 8.82 9.90

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL210029 1 9.90
CHEMBL379192 1 9.40
CHEMBL438609 1 9.30
CHEMBL211556 1 9.20
CHEMBL377315 1 9.20
CHEMBL377414 1 9.20
CHEMBL378718 1 9.20
CHEMBL208787 1 9.00
CHEMBL211443 1 8.90
CHEMBL196478 1 8.90
CHEMBL427227 1 8.80
CHEMBL196603 1 8.50
CHEMBL213112 1 8.40
CHEMBL211440 1 8.40
CHEMBL378939 1 8.40
CHEMBL209917 1 7.90
CHEMBL382301 ATOSIBAN 4.0 1 7.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL210029 Ki = 0.1259 nM 9.90
CHEMBL379192 Ki = 0.3981 nM 9.40
CHEMBL438609 Ki = 0.5012 nM 9.30
CHEMBL211556 Ki = 0.631 nM 9.20
CHEMBL377315 Ki = 0.631 nM 9.20
CHEMBL377414 Ki = 0.631 nM 9.20
CHEMBL378718 Ki = 0.631 nM 9.20
CHEMBL208787 Ki = 1.0 nM 9.00
CHEMBL211443 Ki = 1.259 nM 8.90
CHEMBL196478 Ki = 1.259 nM 8.90
CHEMBL427227 Ki = 1.585 nM 8.80
CHEMBL196603 Ki = 3.162 nM 8.50
CHEMBL213112 Ki = 3.981 nM 8.40
CHEMBL211440 Ki = 3.981 nM 8.40
CHEMBL378939 Ki = 3.981 nM 8.40
CHEMBL209917 Ki = 12.59 nM 7.90
CHEMBL382301 ATOSIBAN Ki = 39.81 nM 7.40