BDBM83435 2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid;hydrochloride::2-[3-[1-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid;hydrochloride::2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidino-ethyl]phenoxy]acetic acid;hydrochloride::2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid;hydrochloride::CHEMBL23472::ICI 204,448 hydrochloride::MLS002153186::SMR001230677::cid_129407
SMILES: CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=JKYJSFISYHSNOE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM83435 (2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-ami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor | Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM83435 (2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-ami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonistic activity at kappa opioid receptor of rabbit vas deferens | Bioorg Med Chem Lett 2: 1275-1278 (1992) Article DOI: 10.1016/S0960-894X(00)80229-2 BindingDB Entry DOI: 10.7270/Q2125SKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM83435 (2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-ami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3 | |||||||||||
More data for this Ligand-Target Pair |