talnetant [Ligand Id: 2132] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL10188 (SB-2234, Sb-223412, SB-223412, Talnetant) |
|---|
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| 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]
