1400W [Ligand Id: 5102] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL107251
  • Neuronal NOS/Nitric-oxide synthase, brain in Human [ChEMBL: CHEMBL3568] [GtoPdb: 1251] [UniProtKB: P29475]
  • Neuronal NOS/Nitric-oxide synthase, brain in Rat [ChEMBL: CHEMBL3048] [GtoPdb: 1251] [UniProtKB: P29476]
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  • Inducible NOS/Nitric oxide synthase, inducible in Human [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
  • Inducible NOS/Nitric oxide synthase, inducible in Mouse [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Neuronal NOS/Nitric-oxide synthase, brain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3568] [GtoPdb: 1251] [UniProtKB: P29475]
ChEMBL Binding affinity nNOS B 5.14 pKi 7300 nM Ki J. Med. Chem. (2008) 51: 3661-3680 [PMID:18457385]
Neuronal NOS/Nitric-oxide synthase, brain in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3048] [GtoPdb: 1251] [UniProtKB: P29476]
ChEMBL Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in presence of FMN/FAD by liquid scintillation counting method B 5.11 pIC50 7800 nM IC50 Eur J Med Chem (2018) 152: 53-64 [PMID:29689474]
ChEMBL Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin B 5.14 pIC50 7300 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 6495-6499 [PMID:20933416]
Inducible NOS/Nitric oxide synthase, inducible in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
ChEMBL Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline pre-incubated 1 hr before LPS challenge by whole cell assay B 6.48 pIC50 330 nM IC50 J. Med. Chem. (2009) 52: 1481-1485 [PMID:19203270]
GtoPdb - - 8.2 pIC50 6.31 nM IC50 J. Biol. Chem. (1997) 272: 4959-63 [PMID:9030556]
Inducible NOS/Nitric oxide synthase, inducible in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
ChEMBL Inhibition of mouse macrophage iNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin B 6.48 pIC50 330 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 6495-6499 [PMID:20933416]
ChEMBL Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in presence of FMN/FAD by liquid scintillation counting method B 7 pIC50 101 nM IC50 Eur J Med Chem (2018) 152: 53-64 [PMID:29689474]
ChEMBL Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysis B 7 pIC50 100 nM IC50 ACS Med. Chem. Lett. (2015) 6: 635-640 [PMID:26101565]

ChEMBL data shown on this page come from version 26:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]