BDBM50007164 (S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethanone(BRL 52656)::1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethanone::1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethanone::BRL-52656::CHEMBL433508
SMILES: FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
InChI Key: InChIKey=RFTWMVGLYKJUCZ-KRWDZBQOSA-N
Data: 4 KI
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 (Cavia porcellus (domestic guinea pig)) | BDBM50007164 ((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig | J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50007164 ((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL | Assay Description Evaluated for the binding affinity at kappa receptor | J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50007164 ((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was measured on opioid receptor delta sites. | J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50007164 ((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambeletti Research Laboratories Curated by ChEMBL | Assay Description Affinity for opioid receptor mu sites | J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX | |||||||||||
More data for this Ligand-Target Pair |