BDBM50003755 (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(pyrrolidin-1-yl)cyclohexan-1-amine::[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-cyclohexyl)-amine
SMILES: CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1
InChI Key: InChIKey=SRRUPDPTTGLICG-RTBURBONSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50003755 ((2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States. Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay | ACS Med Chem Lett 8: 694-700 (2017) Article DOI: 10.1021/acsmedchemlett.7b00224 BindingDB Entry DOI: 10.7270/Q23N25TP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50003755 ((2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 455 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates | J Med Chem 35: 4334-43 (1992) BindingDB Entry DOI: 10.7270/Q2PN94MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50003755 ((2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 538 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain | J Med Chem 34: 3058-65 (1991) BindingDB Entry DOI: 10.7270/Q2VX0FGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50003755 ((2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States. Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as beta-arrestin2 recruitment by enzyme fragment complementation meth... | ACS Med Chem Lett 8: 694-700 (2017) Article DOI: 10.1021/acsmedchemlett.7b00224 BindingDB Entry DOI: 10.7270/Q23N25TP | |||||||||||
More data for this Ligand-Target Pair |