talnetant [Ligand Id: 2132] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL10188 (SB-2234, Sb-223412, SB-223412, Talnetant) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
| ChEMBL | Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines | B | 5.73 | pKi | 1860 | nM | Ki | J Med Chem (2001) 44: 1675-1689 [PMID:11356103] |
| NK1 receptor/Neurokinin 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103] | ||||||||
| ChEMBL | Binding Affinity of [3H]- substance P towards Tachykinin receptor 1-CHO cell membranes (n=3-8) | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (1996) 39: 2281-2284 [PMID:8691422] |
| ChEMBL | Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis | B | 4.9 | pKi | 12589.25 | nM | Ki | J Med Chem (2015) 58: 3060-3082 [PMID:25738882] |
| ChEMBL | Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Binding affinity to human NK1 receptor by radioligand binding assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585] |
| ChEMBL | Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
| ChEMBL | Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Displacement of [125I]-neurokinin A from human NK2R after 90 mins by scintillation counting analysis | B | 5.4 | pKi | 3981.07 | nM | Ki | J Med Chem (2015) 58: 3060-3082 [PMID:25738882] |
| ChEMBL | Binding affinity to human NK2 receptor by radioligand binding assay | B | 5.43 | pKi | 3700 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585] |
| ChEMBL | Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8) | B | 6.84 | pKi | 144 | nM | Ki | J Med Chem (1996) 39: 2281-2284 [PMID:8691422] |
| ChEMBL | Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes | B | 6.84 | pKi | 144 | nM | Ki | J Med Chem (2001) 44: 1675-1689 [PMID:11356103] |
| GtoPdb | - | - | 6.9 | pKi | - | - | - | J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866] |
| NK3 receptor/Neurokinin 3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371] | ||||||||
| ChEMBL | Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins | B | 6.64 | pKd | 229.09 | nM | Kd | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate | F | 8.24 | pKd | 5.75 | nM | Kd | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins | B | 8.24 | pKd | 5.75 | nM | Kd | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins | B | 8.54 | pKd | 2.88 | nM | Kd | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins | B | 8.63 | pKd | 2.34 | nM | Kd | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB | B | 6.6 | pKi | 254 | nM | Ki | J Med Chem (1999) 42: 1053-1065 [PMID:10090788] |
| ChEMBL | Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells | B | 6.91 | pKi | 122 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells | B | 7.43 | pKi | 37.2 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells | B | 7.97 | pKi | 10.6 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis | B | 8.1 | pKi | 7.94 | nM | Ki | J Med Chem (2015) 58: 3060-3082 [PMID:25738882] |
| ChEMBL | Binding affinity to human NK3 receptor by radioligand binding assay | B | 8.13 | pKi | 7.4 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585] |
| ChEMBL | Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells | B | 8.43 | pKi | 3.7 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells | B | 8.44 | pKi | 3.6 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells | B | 8.52 | pKi | 3 | nM | Ki | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 510-514 [PMID:24374277] |
| ChEMBL | Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells | B | 8.77 | pKi | 1.7 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
| ChEMBL | Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2001) 44: 1675-1689 [PMID:11356103] |
| GtoPdb | - | - | 9 | pKi | - | - | - |
J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866]; Bioorg Med Chem (2004) 12: 4533-41 [PMID:15265501]; Eur J Pharmacol (2001) 413: 143-50 [PMID:11226387]; J Med Chem (1996) 39: 2281-4 [PMID:8691422] |
| ChEMBL | Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8) | B | 9 | pKi | 1 | nM | Ki | J Med Chem (1996) 39: 2281-2284 [PMID:8691422] |
| ChEMBL | Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis | F | 7.78 | pIC50 | 16.6 | nM | IC50 | J Med Chem (2010) 53: 8080-8088 [PMID:21047106] |
| ChEMBL | Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method | B | 8.08 | pIC50 | 8.4 | nM | IC50 | Bioorg Med Chem (2016) 24: 3494-3500 [PMID:27298001] |
| ChEMBL | Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis | F | 8.21 | pIC50 | 6.1 | nM | IC50 | J Med Chem (2010) 53: 8080-8088 [PMID:21047106] |
| ChEMBL | Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells | B | 8.62 | pIC50 | 2.4 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 5748-5751 [PMID:16950620] |
| NK3 receptor/Neurokinin 3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177] | ||||||||
| ChEMBL | Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis | B | 6.7 | pKi | 199.53 | nM | Ki | J Med Chem (2015) 58: 3060-3082 [PMID:25738882] |
| ChEMBL | Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis | B | 6.71 | pKi | 193 | nM | Ki | J Med Chem (2015) 58: 3060-3082 [PMID:25738882] |
| ChEMBL | Binding affinity to rat NK3 receptor by radioligand binding assay | B | 6.72 | pKi | 190 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585] |
| GtoPdb | - | - | 7.4 | pKi | - | - | - | Eur J Pharmacol (2001) 413: 143-50 [PMID:11226387] |
| Neurokinin 3 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3799] [UniProtKB: P30098] | ||||||||
| ChEMBL | Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate | F | 7.81 | pKd | 15.49 | nM | Kd | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate | F | 7.91 | pKd | 12.3 | nM | Kd | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
| ChEMBL | Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells | B | 8.42 | pKi | 3.8 | nM | Ki | J Med Chem (2009) 52: 7103-7112 [PMID:19817444] |
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]
