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Assay Detail

CHEMBL831700

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

Binding
Inhibitory concentration against Endothelial nitric oxide synthase
18
Total Activities
18
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

Nitric oxide synthase 3 (CHEMBL4803)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases.
Shankaran K, Donnelly KL, Shah SK, Caldwell CG, Chen P, Hagmann WK, Maccoss M, Humes JL, Pacholok SG, Kelly TM, Grant SK, Wong KK.
Bioorg Med Chem Lett (2004) 14 : 5907 -5911
PubMed 15501067 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 5.07 6.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL362772 1 6.35
CHEMBL186431 1 6.00
CHEMBL185833 1 5.96
CHEMBL187008 1 5.39
CHEMBL364999 1 5.30
CHEMBL365202 1 5.30
CHEMBL361722 1 5.22
CHEMBL7889 L-NIL 1 5.10
CHEMBL186856 1 4.98
CHEMBL88308 1 4.87
CHEMBL330548 1 4.60
CHEMBL186969 1 4.30
CHEMBL186985 1 4.30
CHEMBL185919 1 4.22
CHEMBL186091 1 4.11
CHEMBL186360 1 -
CHEMBL188073 1 -
CHEMBL361049 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL362772 IC50 = 450.0 nM 6.35
CHEMBL186431 IC50 = 1000.0 nM 6.00
CHEMBL185833 IC50 = 1100.0 nM 5.96
CHEMBL187008 IC50 = 4100.0 nM 5.39
CHEMBL364999 IC50 = 5000.0 nM 5.30
CHEMBL365202 IC50 = 5000.0 nM 5.30
CHEMBL361722 IC50 = 6000.0 nM 5.22
CHEMBL7889 L-NIL IC50 = 7900.0 nM 5.10
CHEMBL186856 IC50 = 10500.0 nM 4.98
CHEMBL88308 IC50 = 13400.0 nM 4.87
CHEMBL330548 IC50 = 25000.0 nM 4.60
CHEMBL186969 IC50 = 50000.0 nM 4.30
CHEMBL186985 IC50 = 50000.0 nM 4.30
CHEMBL185919 IC50 = 60000.0 nM 4.22
CHEMBL186091 IC50 = 77000.0 nM 4.11
CHEMBL186360 IC50 > 50000.0 nM -
CHEMBL188073 IC50 > 50000.0 nM -
CHEMBL361049 IC50 > 50000.0 nM -