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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nitric oxide synthase, brain | ||
| Ligand | BDBM50365341 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_806489 (CHEMBL1959528) | ||
| IC50 | 5750±n/a nM | ||
| Citation |  Annedi, SC; Ramnauth, J; Maddaford, SP; Renton, P; Rakhit, S; Mladenova, G; Dove, P; Silverman, S; Andrews, JS; Felice, MD; Porreca, F Discovery of cis-N-(1-(4-(methylamino)cyclohexyl)indolin-6-yl)thiophene-2-carboximidamide: a 1,6-disubstituted indoline derivative as a highly selective inhibitor of human neuronal nitric oxide synthase (nNOS) without any cardiovascular liabilities. J Med Chem55:943-55 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Nitric oxide synthase, brain | |||
| Name: | Nitric oxide synthase, brain | ||
| Synonyms: | Constitutive NOS | N-NOS | NC-NOS | NOS type I | NOS type I nNOS | NOS1 | NOS1_HUMAN | Neuronal NOS | Neuronal nitric oxide synthase | Nitric oxide synthase, brain (nNOS) | Nitric oxide synthase, neuronal (nNOS) | Peptidyl-cysteine S-nitrosylase NOS1 | bNOS | nNOS | ||
| Type: | Homodimer | ||
| Mol. Mass.: | 160985.98 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P29475 | ||
| Residue: | 1434 | ||
| Sequence: |
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| BDBM50365341 | |||
| n/a | |||
| Name | BDBM50365341 | ||
| Synonyms: | CHEMBL1956110 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H25FN4S | ||
| Mol. Mass. | 372.503 | ||
| SMILES | CN[C@H]1CC[C@@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:2.1,wD:5.8,(10.87,-4.48,;12.2,-3.71,;12.2,-2.17,;10.87,-1.4,;10.87,.13,;12.21,.91,;13.54,.14,;13.54,-1.4,;12.21,2.45,;13.12,3.7,;12.21,4.96,;10.73,4.48,;9.4,5.24,;8.07,4.47,;6.74,5.24,;8.07,2.93,;9.4,2.16,;10.73,2.93,;6.73,2.16,;5.4,2.93,;5.4,4.47,;4.07,2.16,;2.66,2.79,;1.63,1.65,;2.4,.32,;3.91,.64,)| | ||
| Structure | 
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