BDBM50000293 2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl-1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-ethanone::CHEMBL66265::GR-45809
SMILES: Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl
InChI Key: InChIKey=LWUQHEXXEFUHHQ-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50000293 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd. Curated by ChEMBL | Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation | J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50000293 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd. Curated by ChEMBL | Assay Description In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. | J Med Chem 36: 2075-83 (1993) BindingDB Entry DOI: 10.7270/Q2D50NKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50000293 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.100 | 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 |