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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 |
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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 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]