osanetant [Ligand Id: 2110] 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: CHEMBL346178 (Osanetant, SB-236984, SR-14280, SR142801, SR-142801)
  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
There should be some charts here, you may need to enable JavaScript!
  • NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
  • NK2 receptor/Neurokinin 2 receptor in Rat [ChEMBL: CHEMBL4554] [GtoPdb: 361] [UniProtKB: P16610]
There should be some charts here, you may need to enable JavaScript!
  • 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]
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
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 5.89 pKi 1300 nM Ki J Med Chem (1996) 39: 2281-2284 [PMID:8691422]
ChEMBL Binding affinity towards cloned human Tachykinin receptor 1 (hNK-1) expressed in CHO cells using [125I][MePhe7]-NKB B 5.89 pKi 1300 nM Ki J Med Chem (1999) 42: 1053-1065 [PMID:10090788]
ChEMBL Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis B 6.4 pKi 398.11 nM Ki J Med Chem (2015) 58: 3060-3082 [PMID:25738882]
ChEMBL Binding affinity to human NK1 receptor by radioligand binding assay B 6.48 pKi 330 nM Ki Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585]
GtoPdb - - 6.6 pKi - - - Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858]
ChEMBL Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells B 6.68 pKi 209.6 nM Ki J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells B 6.68 pKi 209.6 nM Ki J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
GtoPdb - - 5.6 pIC50 - - - Eur J Pharmacol (1997) 319: 307-16 [PMID:9042606]
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
ChEMBL Binding affinity to human NK2 receptor by radioligand binding assay B 7.07 pKi 85 nM Ki Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585]
ChEMBL Displacement of [125I]-neurokinin A from human NK2R after 90 mins by scintillation counting analysis B 7.1 pKi 79.43 nM Ki J Med Chem (2015) 58: 3060-3082 [PMID:25738882]
ChEMBL Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8) B 7.39 pKi 40.3 nM Ki J Med Chem (1996) 39: 2281-2284 [PMID:8691422]
ChEMBL Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells B 7.45 pKi 35.5 nM Ki J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
GtoPdb - - 7.8 pKi - - - J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866];
Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858]
ChEMBL Binding affinity towards cloned human Tachykinin receptor 2 (hNK-2) expressed in CHO cells using [125I][MePhe7]-NKB B 37 pKi 37 nM Log Ki J Med Chem (1999) 42: 1053-1065 [PMID:10090788]
NK2 receptor/Neurokinin 2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4554] [GtoPdb: 361] [UniProtKB: P16610]
ChEMBL Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane B 9.29 pKi 0.51 nM Ki J Med Chem (1996) 39: 2281-2284 [PMID:8691422]
NK3 receptor/Neurokinin 3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371]
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 7.53 pKd 29.51 nM Kd J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
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 7.73 pKd 18.62 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 7.73 pKd 18.62 nM Kd J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
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 7.77 pKd 16.98 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 8.23 pKd 5.89 nM Kd J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
ChEMBL Apparent binding affinity to human NK3 receptor expressed in HEK293 cells B 9.66 pKd 0.22 nM Kd J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cells B 9.7 pKd 0.2 nM Kd J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells B 7.97 pKi 10.8 nM Ki J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
ChEMBL Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells B 8.32 pKi 4.8 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 8.68 pKi 2.1 nM Ki J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
ChEMBL Binding affinity to human NK3 receptor by radioligand binding assay B 8.72 pKi 1.9 nM Ki Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585]
ChEMBL Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis B 8.8 pKi 1.58 nM Ki J Med Chem (2015) 58: 3060-3082 [PMID:25738882]
ChEMBL Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB B 8.92 pKi 1.2 nM Ki J Med Chem (1999) 42: 1053-1065 [PMID:10090788]
ChEMBL Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8) B 8.92 pKi 1.2 nM Ki J Med Chem (1996) 39: 2281-2284 [PMID:8691422]
ChEMBL Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells B 9.22 pKi 0.6 nM Ki J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
ChEMBL Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells B 9.3 pKi 0.5 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 9.3 pKi 0.5 nM Ki J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells B 9.4 pKi 0.4 nM Ki J Med Chem (2012) 55: 5061-5076 [PMID:22574973]
GtoPdb - - 9.7 pKi - - - Eur J Pharmacol (2002) 450: 191-202 [PMID:12206858];
Eur J Pharmacol (1997) 319: 307-16 [PMID:9042606];
Mol Pharmacol (1995) 48: 711-6 [PMID:7476898];
Life Sci (1995) 56: PL27-32 [PMID:7830490];
Curr Opin Investig Drugs (2001) 2: 950-6 [PMID:11757797];
J Pharmacol Exp Ther (1995) 274: 148-54 [PMID:7616392];
Eur J Pharmacol (2001) 413: 143-50 [PMID:11226387];
J Pharmacol Exp Ther (1997) 281: 1303-11 [PMID:9190866];
J Biol Chem (1996) 271: 20250-7 [PMID:8702757]
ChEMBL Binding affinity to NK3 receptor (unknown origin) B 9.7 pKi 0.2 nM Ki Bioorg Med Chem Lett (2014) 24: 510-514 [PMID:24374277]
GtoPdb - - 8 pIC50 10 nM IC50 Mol Pharmacol (1995) 48: 711-6 [PMID:7476898]
ChEMBL Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors B 9.1 pIC50 0.8 nM IC50 Bioorg Med Chem Lett (1997) 7: 555-560
ChEMBL Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells B 9.68 pIC50 0.21 nM IC50 Bioorg Med Chem Lett (1995) 5: 1773-1778
NK3 receptor/Neurokinin 3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
ChEMBL Binding affinity to rat NK3 receptor by radioligand binding assay B 7.24 pKi 57 nM Ki Bioorg Med Chem Lett (2011) 21: 1991-1996 [PMID:21376585]
ChEMBL Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis B 7.25 pKi 56 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 7.3 pKi 50.12 nM Ki J Med Chem (2015) 58: 3060-3082 [PMID:25738882]
Neurokinin 3 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3799] [UniProtKB: P30098]
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 8.5 pKd 3.16 nM Kd J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells B 9.82 pKd 0.15 nM Kd J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells B 10.1 pKd 0.08 nM Kd 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 9.1 pKi 0.8 nM Ki 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 9.22 pKi 0.6 nM Ki J Med Chem (2009) 52: 7103-7112 [PMID:19817444]
ChEMBL Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane B 6.49 pIC50 320 nM IC50 J Med Chem (1996) 39: 2281-2284 [PMID:8691422]

ChEMBL data shown on this page come from version 32:

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]