osanetant [Ligand Id: 2110] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL346178 (Osanetant, SB-236984, SR-14280, SR-142801, SR142801) |
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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] | ||||||||
| 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 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]
