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Assay Detail

CHEMBL885138

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

Binding
Displacement of [3H]oxytocin from human Oxytocin receptor
32
Total Activities
32
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. 2. Synthesis, chirality, and pharmacokinetics.
Borthwick AD, Davies DE, Exall AM, Livermore DG, Sollis SL, Nerozzi F, Allen MJ, Perren M, Shabbir SS, Woollard PM, Wyatt PG.
J Med Chem (2005) 48 : 6956 -6969
PubMed 16250654 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 32 7.73 8.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL371008 1 8.80
CHEMBL372615 1 8.70
CHEMBL372554 1 8.70
CHEMBL372128 1 8.60
CHEMBL381024 1 8.60
CHEMBL196603 1 8.50
CHEMBL382518 1 8.40
CHEMBL372978 1 8.40
CHEMBL555148 1 8.40
CHEMBL197793 1 8.40
CHEMBL196780 1 8.30
CHEMBL198329 1 8.30
CHEMBL194374 1 8.30
CHEMBL193773 1 8.20
CHEMBL194584 1 8.00
CHEMBL382065 1 7.60
CHEMBL371291 1 7.60
CHEMBL197298 1 7.50
CHEMBL197822 1 7.40
CHEMBL273988 1 7.30
CHEMBL194922 1 7.30
CHEMBL194432 1 7.20
CHEMBL194233 1 7.10
CHEMBL198328 1 7.10
CHEMBL197833 1 7.00
CHEMBL427353 1 7.00
CHEMBL372619 1 6.90
CHEMBL196688 1 6.80
CHEMBL198964 1 6.80
CHEMBL372516 1 6.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL371008 Ki = 1.585 nM 8.80
CHEMBL372615 Ki = 1.995 nM 8.70
CHEMBL372554 Ki = 1.995 nM 8.70
CHEMBL372128 Ki = 2.512 nM 8.60
CHEMBL381024 Ki = 2.512 nM 8.60
CHEMBL196603 Ki = 3.162 nM 8.50
CHEMBL382518 Ki = 3.981 nM 8.40
CHEMBL372978 Ki = 3.981 nM 8.40
CHEMBL555148 Ki = 3.981 nM 8.40
CHEMBL197793 Ki = 3.981 nM 8.40
CHEMBL196780 Ki = 5.012 nM 8.30
CHEMBL198329 Ki = 5.012 nM 8.30
CHEMBL194374 Ki = 5.012 nM 8.30
CHEMBL193773 Ki = 6.31 nM 8.20
CHEMBL194584 Ki = 10.0 nM 8.00
CHEMBL371291 Ki = 25.12 nM 7.60
CHEMBL382065 Ki = 25.12 nM 7.60
CHEMBL197298 Ki = 31.62 nM 7.50
CHEMBL197822 Ki = 39.81 nM 7.40
CHEMBL273988 Ki = 50.12 nM 7.30
CHEMBL194922 Ki = 50.12 nM 7.30
CHEMBL194432 Ki = 63.1 nM 7.20
CHEMBL194233 Ki = 79.43 nM 7.10
CHEMBL198328 Ki = 79.43 nM 7.10
CHEMBL197833 Ki = 100.0 nM 7.00
CHEMBL427353 Ki = 100.0 nM 7.00
CHEMBL372619 Ki = 125.89 nM 6.90
CHEMBL196688 Ki = 158.49 nM 6.80
CHEMBL198964 Ki = 158.49 nM 6.80
CHEMBL372516 Ki = 158.49 nM 6.80
CHEMBL371983 Ki = 158.49 nM 6.80
CHEMBL194431 Ki = 316.23 nM 6.50