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ChEMBL ligand: CHEMBL54661 (Flupenthixol, Flupentixol, LC 44, LC-44, N-7009) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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D1 receptor in Human [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
GtoPdb | Note that this assay uses the cis form of the compound, whereas the approved drug is a racemic mixture of cis and trans molecules. | - | 8.4 | pKi | - | - | - |
Nature (1991) 350: 614-9 [PMID:1826762]; J Biol Chem (1994) 269: 27925-31 [PMID:7525564] |
D1 receptor/Dopamine D1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901] | ||||||||
ChEMBL | In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]SCH-23390 as radioligand | B | 9.52 | pIC50 | 0.3 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4015-4017 [PMID:14592497] |
K2P2.1/Potassium channel subfamily K member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069] | ||||||||
ChEMBL | Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2016) 59: 5149-5157 [PMID:26588045] |
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
ChEMBL | The compound was tested for affinity towards sigma-3 receptor | B | 8.65 | pIC50 | 2.24 | nM | IC50 | J Med Chem (1994) 37: 4109-4117 [PMID:7990111] |
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
ChEMBL | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | B | 4.05 | pIC50 | 89500 | nM | IC50 | J Med Chem (2008) 51: 5932-5942 [PMID:18788725] |
ChEMBL | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | B | 4.05 | pIC50 | 89500 | nM | IC50 | J Med Chem (2008) 51: 5932-5942 [PMID:18788725] |
ubiquitin specific peptidase 1/Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430885] [GtoPdb: 2428] [UniProtKB: O94782, Q8TAF3] | ||||||||
ChEMBL | Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay | B | 5.15 | pIC50 | 7000 | nM | IC50 | J Med Chem (2016) 59: 9321-9336 [PMID:27362876] |
D2 receptor in Human [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
GtoPdb | - | - | 8.82 | pKi | 1.5 | nM | Ki | J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582] |
D3 receptor in Human [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
GtoPdb | - | - | 8.96 | pKi | 1.1 | nM | Ki | J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582] |
D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
GtoPdb | - | - | 8.1 | pKi | - | - | - | Nature (1991) 350: 614-9 [PMID:1826762] |
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]