BDBM50176369 CHEMBL201884::N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(phenylamino)acetamide
SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1
InChI Key: InChIKey=JLMDSDKAMFOLIF-VQTJNVASSA-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)) | BDBM50176369 (CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Binding affinity to kappa opioid receptor | Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50176369 (CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor in a [35S]GTPgammaS functional assay | Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50176369 (CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibitory activity against CYP2D6 | Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3 | |||||||||||
More data for this Ligand-Target Pair |