BDBM50123626 (S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-tetrahydro-naphthalen-1-ol::CHEMBL1303::Neupro::ROTIGOTINE
SMILES: CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
InChI Key: InChIKey=KFQYTPMOWPVWEJ-INIZCTEOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells | J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437 | J Med Chem 45: 3022-31 (2002) BindingDB Entry DOI: 10.7270/Q2QC047Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone | J Med Chem 45: 3022-31 (2002) BindingDB Entry DOI: 10.7270/Q2QC047Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells. | J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (BOVINE) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Centre for Pharmacy Curated by ChEMBL | Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437 | J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells. | J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells. | J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DRD1 (BOVINE) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Centre for Pharmacy Curated by ChEMBL | Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390 | J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins | Bioorg Med Chem 22: 381-92 (2013) Article DOI: 10.1016/j.bmc.2013.11.012 BindingDB Entry DOI: 10.7270/Q26T0P3C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL | Assay Description Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincu... | J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL | Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitmen... | J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL | Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 r... | J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH | |||||||||||
More data for this Ligand-Target Pair |