Reaction Details | |||
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Target | Nitric oxide synthase, endothelial | ||
Ligand | BDBM50401272 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_882958 (CHEMBL2209792) | ||
IC50 | 4080±n/a nM | ||
Citation | Annedi, SC; Maddaford, SP; Ramnauth, J; Renton, P; Rybak, T; Silverman, S; Rakhit, S; Mladenova, G; Dove, P; Andrews, JS; Zhang, D; Porreca, F Discovery of a potent, orally bioavailable and highly selective human neuronal nitric oxide synthase (nNOS) inhibitor, N-(1-(piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide as a pre-clinical development candidate for the treatment of migraine. Eur J Med Chem55:94-107 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Nitric oxide synthase, endothelial | |||
Name: | Nitric oxide synthase, endothelial | ||
Synonyms: | Constitutive NOS | EC-NOS | Endothelial NOS | Endothelial nitric oxide synthase | NOS type III | NOS3 | NOS3_HUMAN | NOSIII | Nitric oxide synthase (inducible and endothelial) | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase (endothelial and brain) | cNOS | eNOS | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 133297.84 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P29474 | ||
Residue: | 1203 | ||
Sequence: |
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BDBM50401272 | |||
n/a | |||
Name | BDBM50401272 | ||
Synonyms: | CHEMBL3142587 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H28Cl2N4S | ||
Mol. Mass. | 427.434 | ||
SMILES | Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| | ||
Structure |