rotigotine [Ligand Id: 941] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1303 (Rotigotine, SPM 962, Neupro, SPM-962)
1 CHEMBL1303_lig_chart_1 Dopamine D1 receptor HumanBovine
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  • D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
  • Dopamine D2 receptor in Bovine [ChEMBL: CHEMBL3998] [UniProtKB: P20288]
  • 7.82
2 CHEMBL1303_lig_chart_2 Dopamine D2 receptor HumanBovine
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
  • 8.4
3 CHEMBL1303_lig_chart_3 Dopamine D3 receptor Human
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  • D4 receptor/Dopamine D4 receptor in Human [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
  • 7.26
4 CHEMBL1303_lig_chart_4 Dopamine D4 receptor Human
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  • D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918]
  • This target only has 1 pki data point
  • 6
5 CHEMBL1303_lig_chart_5 D5 receptor Human
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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 B 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 B 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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]