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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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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  • D4 receptor/Dopamine D4 receptor in Human [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
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  • D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918]
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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 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]