BDBM50001107 2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone; hydrochloride::CHEMBL554426::CHEMBL66018
SMILES: Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=WRQRXSLULFCZOJ-UHFFFAOYSA-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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Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50001107 (2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II" Curated by ChEMBL | Assay Description Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 in guinea pig brain homogenates | J Med Chem 43: 2124-34 (2000) BindingDB Entry DOI: 10.7270/Q23N242D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50001107 (2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Receptor binding affinity towards opioid receptor kappa | J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50001107 (2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Receptor binding affinity towards opioid receptor mu | J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50001107 (2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Receptor binding affinity towards opioid receptor delta | J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50001107 (2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd. Curated by ChEMBL | Assay Description In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay | J Med Chem 37: 2138-44 (1994) BindingDB Entry DOI: 10.7270/Q2668C78 | |||||||||||
More data for this Ligand-Target Pair |