BDBM50035476 CHEMBL413530::N-[(S)-1-(3-Amino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide
SMILES: CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=GZGGYQMNFMHDFI-HXUWFJFHSA-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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Mu-type opioid receptor (GUINEA PIG) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity for mu opioid receptor in guinea pig brain membranes; using 2 nM [3H]-DAMGO as radioligand | J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | 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 | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity for delta opioid receptor in guinea pig brain membranes; using 2 nM [3H]-DPDPE as radioligand | J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation. | J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane; using [3H]-U-69,593 as radioligand | J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation. | J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50035476 (CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.000320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity kappa opioid receptor in guinea pig brain membranes; using 1 nM [3H]-U69,593 as radioligand | J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z | |||||||||||
More data for this Ligand-Target Pair |