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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 |
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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]