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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nitric oxide synthase, brain | ||
| Ligand | BDBM50365339 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_806489 (CHEMBL1959528) | ||
| IC50 | 2120±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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| BDBM50365339 | |||
| n/a | |||
| Name | BDBM50365339 | ||
| Synonyms: | CHEMBL1956108 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H26N4S | ||
| Mol. Mass. | 354.512 | ||
| SMILES | CN[C@H]1CC[C@@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:2.1,wD:5.8,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;9.98,-1.76,;9.98,-.22,;11.31,.55,;12.65,-.21,;12.65,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)| | ||
| Structure | 
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