talnetant [Ligand Id: 2132] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL10188 (SB-2234, Sb-223412, SB-223412, Talnetant)
  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
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  • NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
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  • NK3 receptor/Neurokinin 3 receptor in Human [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371]
  • NK3 receptor/Neurokinin 3 receptor in Rat [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
  • Neurokinin 3 receptor in Guinea pig [ChEMBL: CHEMBL3799] [UniProtKB: P30098]
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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 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]