NS-398 [Ligand Id: 8976] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL7162 (NS-398) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
| ChEMBL | The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 779-782 [PMID:11859001] |
| COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
| ChEMBL | In vitro inhibitory activity against constitutive form of human recombinant cyclooxygenase (COX-1) | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 867-872 |
| ChEMBL | Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (1998) 61: 1212-1215 [PMID:9784154] |
| ChEMBL | In vitro inhibition of prostaglandin G/H synthase 1. | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (1995) 38: 4570-4578 [PMID:7473585] |
| ChEMBL | Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production | B | 4.45 | pIC50 | 35680 | nM | IC50 | Bioorg Med Chem (2008) 16: 2697-2706 [PMID:18063374] |
| ChEMBL | Tested for inhibition against Prostaglandin G/H synthase 1 | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (1994) 37: 3878-3881 [PMID:7966148] |
| ChEMBL | IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma | B | 5.48 | pIC50 | 3300 | nM | IC50 | J Med Chem (1999) 42: 1161-1169 [PMID:10197960] |
| ChEMBL | IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma | B | 5.48 | pIC50 | 3300 | nM | IC50 | J Med Chem (1999) 42: 1151-1160 [PMID:10197959] |
| ChEMBL | The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 779-782 [PMID:11859001] |
| Cyclooxygenase-1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2860] [UniProtKB: O62664] | ||||||||
| ChEMBL | Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (1998) 61: 2-7 [PMID:9461646] |
| Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979] | ||||||||
| ChEMBL | Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay | B | 4.18 | pIC50 | >66000 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 521-524 [PMID:11844663] |
| ChEMBL | In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep | B | 4.43 | pIC50 | 37000 | nM | IC50 | Bioorg Med Chem Lett (1999) 9: 307-312 [PMID:10091674] |
| ChEMBL | IC50 against ovine Prostaglandin G/H synthase 1 | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (1999) 42: 1151-1160 [PMID:10197959] |
| ChEMBL | IC50 value against ovine Prostaglandin G/H synthase 1 | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (1999) 42: 1161-1169 [PMID:10197960] |
| ChEMBL | Inhibition of sheep COX1 by spectrophotometry | B | 4.85 | pIC50 | 14100 | nM | IC50 | J Med Chem (2010) 53: 6560-6571 [PMID:20804197] |
| COX-1 /Cyclooxygenase-1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2649] [GtoPdb: 1375] [UniProtKB: P22437] | ||||||||
| ChEMBL | Inhibition of COX1 in mouse RAW264.7 cells by enzyme immunoassay | B | 4.2 | pIC50 | 63700 | nM | IC50 | Bioorg Med Chem (2010) 18: 597-604 [PMID:20056549] |
| ChEMBL | Inhibitory activity against murine prostaglandin G/H synthase 1. | B | 5.78 | pIC50 | 1670 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2559-2562 [PMID:15109651] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation | B | 4.28 | pIC50 | 53000 | nM | IC50 | J Nat Prod (1998) 61: 1212-1215 [PMID:9784154] |
| ChEMBL | Inhibition of human cyclooxygenase 2 | B | 4.55 | pIC50 | 28000 | nM | IC50 | J Med Chem (2008) 51: 4150-4169 [PMID:18588282] |
| ChEMBL | Inhibitory concentration required against COX-2 activity in intact human monocytes | B | 5.49 | pIC50 | 3200 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 1169-1174 [PMID:9871729] |
| ChEMBL | Inhibition of human recombinant COX-2 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA | B | 5.66 | pIC50 | 2200 | nM | IC50 | Bioorg Med Chem (2015) 23: 2518-2528 [PMID:25868745] |
| ChEMBL | Inhibition of recombinant human COX2 assessed as decrease in PGE2 release after 10 mins by ELISA | B | 5.68 | pIC50 | 2100 | nM | IC50 | Eur J Med Chem (2019) 162: 435-447 [PMID:30469039] |
| ChEMBL | Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level | B | 5.68 | pIC50 | 2100 | nM | IC50 | Eur J Med Chem (2014) 77: 155-165 [PMID:24631895] |
| ChEMBL | Inhibition of recombinant human COX2 by enzyme immunoassay | B | 5.74 | pIC50 | 1800 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5193-5197 [PMID:27720548] |
| ChEMBL | Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substrate challenge for 2 mins by enzyme immunoassay | B | 5.74 | pIC50 | 1800 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1958-1962 [PMID:24656662] |
| ChEMBL | Inhibition of human recombinant COX2 in cell-free system by enzyme immunoassay | B | 5.74 | pIC50 | 1800 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5418-5422 [PMID:25453800] |
| ChEMBL | Inhibition of human recombinant COX2 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immunoassay | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2012) 57: 59-64 [PMID:23047224] |
| ChEMBL | Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production | B | 6.21 | pIC50 | 610 | nM | IC50 | Bioorg Med Chem (2008) 16: 2697-2706 [PMID:18063374] |
| ChEMBL | Inhibition of COX2 (unknown origin) using arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured at 1 sec interval up to 60 secs by chemiluminescence assay | B | 6.59 | pIC50 | 260 | nM | IC50 | Eur J Med Chem (2019) 162: 435-447 [PMID:30469039] |
| ChEMBL | IC50 against recombinant human Prostaglandin G/H synthase 2 | B | 6.72 | pIC50 | 190 | nM | IC50 | J Med Chem (1999) 42: 1151-1160 [PMID:10197959] |
| ChEMBL | Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) | B | 6.72 | pIC50 | 190 | nM | IC50 | J Med Chem (1999) 42: 1161-1169 [PMID:10197960] |
| ChEMBL | Inhibition of COX2 by scintillation proximity assay | B | 6.8 | pIC50 | 160 | nM | IC50 | J Nat Prod (2002) 65: 1517-1521 [PMID:12444669] |
| ChEMBL | Inhibition of COX2 | B | 6.8 | pIC50 | 160 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
| ChEMBL | Inhibition of COX2 by microplate reader | B | 6.82 | pIC50 | 150 | nM | IC50 | J Nat Prod (2010) 73: 1234-1239 [PMID:20540535] |
| ChEMBL | Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-layer chromatography assay | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 521-524 [PMID:11844663] |
| ChEMBL | In vitro inhibition of prostaglandin G/H synthase 2 (COX-2). | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (1995) 38: 4570-4578 [PMID:7473585] |
| ChEMBL | In vitro inhibitory activity against inducible form of human recombinant cyclooxygenase (COX-2) | B | 7 | pIC50 | 100 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 867-872 |
| ChEMBL | In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human | B | 7.05 | pIC50 | 90 | nM | IC50 | Bioorg Med Chem Lett (1999) 9: 307-312 [PMID:10091674] |
| ChEMBL | Tested for inhibition against Prostaglandin G/H synthase 2 | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (1994) 37: 3878-3881 [PMID:7966148] |
| GtoPdb | Measuring inhibition of PGE2 production in human IL-1-stimulated synovial cells | - | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (2000) 43: 2040-8 [PMID:10821716] |
| ChEMBL | The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 779-782 [PMID:11859001] |
| Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208] | ||||||||
| ChEMBL | Inhibition of sheep COX2 by spectrophotometry | B | 4.14 | pIC50 | 73200 | nM | IC50 | J Med Chem (2010) 53: 6560-6571 [PMID:20804197] |
| ChEMBL | Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins | B | 4.28 | pIC50 | 53000 | nM | IC50 | J Nat Prod (1998) 61: 2-7 [PMID:9461646] |
| ChEMBL | Inhibition of COX2 in sheep placental vesicle by enzyme immunoassay | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem (2009) 17: 4459-4465 [PMID:19481465] |
| ChEMBL | Inhibition of sheep placental cotyledens COX2 assessed as PGE2 level by EIA | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem (2010) 18: 2809-2815 [PMID:20236826] |
| ChEMBL | Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay | B | 5.68 | pIC50 | 2100 | nM | IC50 | J Nat Prod (2011) 74: 1779-1786 [PMID:21800856] |
| COX-2 /Cyclooxygenase-2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4321] [GtoPdb: 1376] [UniProtKB: Q05769] | ||||||||
| ChEMBL | Inhibition of COX2 in mouse RAW264.7 cells by enzyme immunoassay | B | 6.09 | pIC50 | 810 | nM | IC50 | Bioorg Med Chem (2010) 18: 597-604 [PMID:20056549] |
| ChEMBL | Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay | B | 7.3 | pIC50 | 50 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 1650-1653 [PMID:19233646] |
| ChEMBL | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines. | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (1999) 42: 1151-1160 [PMID:10197959] |
| ChEMBL | IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (1999) 42: 1161-1169 [PMID:10197960] |
| ChEMBL | Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1958-1962 [PMID:24656662] |
| ChEMBL | Inhibitory activity against murine Prostaglandin G/H synthase 2. | B | 8.7 | pIC50 | <2 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2559-2562 [PMID:15109651] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of CYP450 aromatase activity in SK-BR-3 cells | B | 6.17 | pIC50 | 680 | nM | IC50 | J Med Chem (2006) 49: 1413-1419 [PMID:16480277] |
| ChEMBL | Inhibition of aromatase in human SKBR3 cells by tritiated water release assay | B | 6.17 | pIC50 | 680 | nM | IC50 | J Med Chem (2008) 51: 1126-1135 [PMID:18271519] |
| mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684] | ||||||||
| ChEMBL | Inhibition of microsomal PGES | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem (2011) 19: 6077-6086 [PMID:21920764] |
| ChEMBL | Inhibition of mPGES-1 in human A549 cell microsomes assessed as conversion of PGH2 into PGE2 at 0 degC after 5 mins by HPLC-UV analysis | B | 4.7 | pIC50 | 20000 | nM | IC50 | Eur J Med Chem (2012) 48: 153-163 [PMID:22209272] |
| ChEMBL | Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7335-7339 [PMID:23147075] |
| ChEMBL | Inhibition of mPGES-1 | B | 5 | pIC50 | 10000 | nM | IC50 | Eur J Med Chem (2012) 48: 153-163 [PMID:22209272] |
| mPGES1/Prostaglandin E synthase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2046261] [GtoPdb: 1377] [UniProtKB: Q9JM51] | ||||||||
| ChEMBL | Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5193-5197 [PMID:27720548] |
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]
