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ChEMBL ligand: CHEMBL1471 (Aprepitant, Cinvanti, Emend, L-754,030, MK-0869, MK-869, NSC-748825) |
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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 | Competitive inhibition of human NK1 F264Y6.51 mutant expressed in HEK293 cells assessed as decrease in SP1-induced [3H]IP accumulation after 20 mins | B | 8.08 | pKd | 8.32 | nM | Kd | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
ChEMBL | Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells | B | 8.52 | pKi | 3 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
ChEMBL | Displacement of radioligand [3H]SP from human NK1 F264Y6.51 mutant expressed in HEK293 cells | B | 9.1 | pKi | 0.8 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
GtoPdb | - | - | 10.05 | pKi | 0.09 | nM | Ki |
J Med Chem (1998) 41: 4607-14 [PMID:9804700]; J Med Chem (2000) 43: 1234-41 [PMID:10737756] |
ChEMBL | Binding affinity to NK1 receptor (unknown origin) | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 510-514 [PMID:24374277] |
ChEMBL | Antagonist activity at NK1R (unknown origin) in presence of endogenous SP ligand preincubated for 10 mins followed by 30 min incubation with antagonist and SP by HTRF-FRET assay | F | 8.85 | pIC50 | 1.41 | nM | IC50 | J Med Chem (2021) 64: 10350-10370 [PMID:34236855] |
ChEMBL | Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand | B | 10 | pIC50 | 0.1 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 3195-3198 [PMID:12372532] |
ChEMBL | compounds were evaluated for inhibitory activity against human Tachykinin receptor 1 | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (2000) 43: 1234-1241 [PMID:10737756] |
ChEMBL | Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells | B | 10.05 | pIC50 | 0.09 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4497-4503 [PMID:16824752] |
ChEMBL | Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (1998) 41: 4607-4614 [PMID:9804700] |
ChEMBL | Displacement of [125I]SP from human NK1 receptor expressed in CHO cells | B | 10.05 | pIC50 | 0.09 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 5310-5315 [PMID:17723300] |
ChEMBL | Inhibition of NK1 receptor | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (2008) 51: 4359-4369 [PMID:18570365] |
ChEMBL | Antagonist activity at NK1 receptor (unknown origin) | B | 10.05 | pIC50 | 0.09 | nM | IC50 | Bioorg Med Chem (2013) 21: 6264-6273 [PMID:24075145] |
ChEMBL | Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells | B | 10.05 | pIC50 | 0.09 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4504-4511 [PMID:16831551] |
ChEMBL | In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (2001) 44: 4296-4299 [PMID:11708932] |
NK3 receptor/Neurokinin 3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371] | ||||||||
ChEMBL | Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells | B | 6.34 | pKi | 454.1 | nM | Ki | J Med Chem (2012) 55: 5061-5076 [PMID:22574973] |
Substance-P receptor in Meriones unguiculatus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1764942] [UniProtKB: Q5DUB1] | ||||||||
ChEMBL | Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting method | B | 10.05 | pIC50 | 0.09 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 3039-3043 [PMID:26048800] |
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]