rotigotine [Ligand Id: 941] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1303 (Leganto, Neupro, Rotigotine, SPM 962, SPM-962) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
| GtoPdb | - | - | 5.6 | pKi | - | - | - | Nature (1991) 350: 614-9 [PMID:1826762] |
| ChEMBL | Agonist activity at human recombinant dopamine D1 receptor expressed in CHO cells assessed as cAMP production after 20 mins | F | 7.55 | pEC50 | 28 | nM | EC50 | Bioorg Med Chem (2014) 22: 381-392 [PMID:24296012] |
| Dopamine D1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136] | ||||||||
| ChEMBL | Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390 | B | 6.3 | pKi | 500 | nM | Ki | J Med Chem (2003) 46: 584-590 [PMID:12570379] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells. | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (1996) 39: 4233-4237 [PMID:8863800] |
| GtoPdb | - | - | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (2002) 45: 3022-31 [PMID:12086487] |
| ChEMBL | In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437 | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (2002) 45: 3022-3031 [PMID:12086487] |
| ChEMBL | Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (1996) 39: 4233-4237 [PMID:8863800] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 8.36 | pEC50 | 4.4 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 8.39 | pEC50 | 4.1 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincubated for 30 mins followed by addition of [35S]GTPgammaS measured after 30 mins by [35S]GTPgammaS binding assay | F | 8.49 | pEC50 | 3.2 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins | F | 9.15 | pEC50 | 0.7 | nM | EC50 | Bioorg Med Chem (2014) 22: 381-392 [PMID:24296012] |
| Dopamine D2 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3998] [UniProtKB: P20288] | ||||||||
| ChEMBL | Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437 | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2003) 46: 584-590 [PMID:12570379] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone | B | 8.4 | pKi | 4 | nM | Ki | J Med Chem (2002) 45: 3022-3031 [PMID:12086487] |
| ChEMBL | Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells. | B | 8.4 | pKi | 3.99 | nM | Ki | J Med Chem (1996) 39: 4233-4237 [PMID:8863800] |
| GtoPdb | - | - | 8.4 | pKi | 4 | nM | Ki | J Med Chem (2002) 45: 3022-31 [PMID:12086487] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells. | B | 7.26 | pKi | 55 | nM | Ki | J Med Chem (1996) 39: 4233-4237 [PMID:8863800] |
| GtoPdb | - | - | 7.26 | pKi | 55 | nM | Ki | J Med Chem (1996) 39: 4233-7 [PMID:8863800] |
| D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
| GtoPdb | - | - | 6 | 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]
