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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nitric oxide synthase, brain | ||
| Ligand | BDBM50355313 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_772643 (CHEMBL1839729) | ||
| IC50 | 530±n/a nM | ||
| Citation |  Annedi, SC; Maddaford, SP; Mladenova, G; Ramnauth, J; Rakhit, S; Andrews, JS; Lee, DK; Zhang, D; Porreca, F; Bunton, D; Christie, L Discovery of N-(3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-6-yl) thiophene-2-carboximidamide as a selective inhibitor of human neuronal nitric oxide synthase (nNOS) for the treatment of pain. J Med Chem54:7408-16 (2011) [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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| BDBM50355313 | |||
| n/a | |||
| Name | BDBM50355313 | ||
| Synonyms: | CHEMBL1835116 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H22N4S | ||
| Mol. Mass. | 350.48 | ||
| SMILES | NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)| | ||
| Structure | 
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