BDBM50316619 (+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8-diazabicyclo[3.2.2]nonan-8-yl]-2-(3,4-dichlorophenyl)ethanone::CHEMBL1095521
SMILES: Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl
InChI Key: InChIKey=PTOAIOGDLYUSHV-SDUSCBPUSA-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 (Cavia porcellus (domestic guinea pig)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins... | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [(3)H]U69593 from mu opioid receptor | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50316619 ((+)-1-[(1S,2R,5R)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 820 | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins... | J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ | |||||||||||
More data for this Ligand-Target Pair |