saredutant [Ligand Id: 2111] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL308148 (Saredutant, Sr-48968) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| NK1 receptor/Neurokinin 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103] | ||||||||
| GtoPdb | - | - | 6.6 | pKi | - | - | - |
J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866]; Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858] |
| ChEMBL | Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined | B | 6.1 | pIC50 | 800 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 2259-2262 [PMID:9873524] |
| ChEMBL | Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP | B | 6.23 | pIC50 | 593 | nM | IC50 | Bioorg Med Chem Lett (1996) 6: 951-956 |
| NK1 receptor/Neurokinin 1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4027] [GtoPdb: 360] [UniProtKB: P14600] | ||||||||
| ChEMBL | Tested in vitro to inhibit the binding of [125I]NKA to its receptor in rat duodenum membrane | B | 9.29 | pKi | 0.51 | nM | Ki | Bioorg Med Chem Lett (1993) 3: 319-322 |
| NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
| ChEMBL | Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 2329-2332 [PMID:11055349] |
| GtoPdb | - | - | 9.7 | pKi | - | - | - |
J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866]; Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858]; Biochem Biophys Res Commun (1993) 191: 1172-7 [PMID:7682062] |
| ChEMBL | Binding affinity was determined against human NK2 receptor in CHO cells using [125I]neurokinin A as radioligand | B | 9.1 | pIC50 | 0.8 | nM | IC50 | Bioorg Med Chem Lett (1996) 6: 605-608 |
| ChEMBL | Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA | B | 9.36 | pIC50 | 0.44 | nM | IC50 | Bioorg Med Chem Lett (1996) 6: 951-956 |
| ChEMBL | Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined | B | 9.89 | pIC50 | 0.13 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 2259-2262 [PMID:9873524] |
| Neurokinin 2 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4815] [UniProtKB: P05363] | ||||||||
| ChEMBL | Binding affinity against bovine Tachykinin receptor 2 | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 4779-4782 [PMID:15324907] |
| Neurokinin 2 receptor in Hamster (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304405] [UniProtKB: P51144] | ||||||||
| ChEMBL | The compound was evaluated for the inhibition of [125I]NKA binding to neurokinin NK2 receptor from hamster urinary bladder membranes | B | 8.92 | pKi | 1.2 | nM | Ki | Bioorg Med Chem Lett (1993) 3: 925-930 |
| NK2 receptor/Neurokinin 2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4554] [GtoPdb: 361] [UniProtKB: P16610] | ||||||||
| ChEMBL | The compound was evaluated for the inhibition of [125I]NKA binding to Tachykinin receptor 2 from rat duodenum membranes | B | 6.02 | pKi | 945 | nM | Ki | Bioorg Med Chem Lett (1993) 3: 925-930 |
| ChEMBL | Inhibition of [125I]NKA binding to neurokinin NK2 receptor from rat duodenum membranes | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem Lett (1993) 3: 925-930 |
| GtoPdb | - | - | 9.4 | pKi | 0.42 | nM | Ki | Life Sci (1992) 50: PL101-6 [PMID:1313515] |
| NK2 receptor in Guinea pig [GtoPdb: 361] | ||||||||
| GtoPdb | - | - | 10.25 | pIC50 | 0.06 | nM | IC50 | Eur J Pharmacol (1992) 224: 137-43 [PMID:1334836] |
| Neurokinin 3 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3799] [UniProtKB: P30098] | ||||||||
| ChEMBL | NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex | B | 6.68 | pIC50 | 208 | nM | IC50 | Bioorg Med Chem Lett (1996) 6: 951-956 |
| NK3 receptor in Human [GtoPdb: 362] [UniProtKB: P29371] | ||||||||
| GtoPdb | - | - | 6.2 | pKi | - | - | - |
J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866]; Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858] |
| GtoPdb | - | - | 6.5 | pIC50 | 350 | nM | IC50 | Biochem Biophys Res Commun (1994) 198: 967-72 [PMID:8117304] |
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]
