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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  • Endothelial NOS/Nitric-oxide synthase, endothelial in Human [ChEMBL: CHEMBL4803] [GtoPdb: 1249] [UniProtKB: P29474]
  • Nitric-oxide synthase, endothelial in Bovine [ChEMBL: CHEMBL4802] [UniProtKB: P29473]
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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]
ChEMBL Inhibition of recombinant human nNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH B 5.7 pKi 2000 nM Ki Bioorg Med Chem (2022) 72: 116970-116970 [PMID:36063653]
ChEMBL Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC reagent based HPLC-fluorimetric analysis B 5.11 pIC50 7800 nM IC50 ACS Med Chem Lett (2020) 11: 1470-1475 [PMID:32676156]
ChEMBL Inhibition of human nNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr B 5.7 pIC50 1980 nM IC50 J Med Chem (2021) 64: 7760-7777 [PMID:34019417]
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]
Endothelial NOS/Nitric-oxide synthase, endothelial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4803] [GtoPdb: 1249] [UniProtKB: P29474]
ChEMBL Inhibition of recombinant human eNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH B 4.3 pKi 50000 nM Ki Bioorg Med Chem (2022) 72: 116970-116970 [PMID:36063653]
ChEMBL Inhibition of human eNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr B 4.29 pIC50 51200 nM IC50 J Med Chem (2021) 64: 7760-7777 [PMID:34019417]
Nitric-oxide synthase, endothelial in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4802] [UniProtKB: P29473]
ChEMBL Inhibition of full length N-terminal his-tagged bovine eNOS (2 to 1205 residues) expressed in Escherichia coli preincubated for 15 mins followed by NADPH addition and measured after 30 mins by HPLC analysis B 4.3 pIC50 >50000 nM IC50 Eur J Med Chem (2023) 248: 115112-115112 [PMID:36641860]
Inducible NOS/Nitric oxide synthase, inducible in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
ChEMBL Inhibition of recombinant human iNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH B 8.15 pKd 7 nM Kd Bioorg Med Chem (2022) 72: 116970-116970 [PMID:36063653]
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]
ChEMBL Inhibition of iNOS (unknown origin) B 6.7 pIC50 200 nM IC50 Eur J Med Chem (2023) 248: 115112-115112 [PMID:36641860]
ChEMBL Inhibition of N-terminal his6-tagged recombinant human iNOS expressed in Escherichia coli preincubated for 15 mins followed by NADPH addition and measured after 30 mins by HPLC analysis B 7.09 pIC50 81 nM IC50 Eur J Med Chem (2023) 248: 115112-115112 [PMID:36641860]
ChEMBL Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC reagent based HPLC-fluorimetric analysis B 7.1 pIC50 80 nM IC50 ACS Med Chem Lett (2020) 11: 1470-1475 [PMID:32676156]
ChEMBL Inhibition of human iNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr B 8.08 pIC50 8.4 nM IC50 J Med Chem (2021) 64: 7760-7777 [PMID:34019417]
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]