1400W [Ligand Id: 5102] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL107251 |
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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 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 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] |
| 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] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
