BDBM50021992 CHEMBL3299005
SMILES: [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=PAVYSOUZQLFNIW-QKNQBKEWSA-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)) | BDBM50021992 (CHEMBL3299005) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Binding affinity to kappa opioid receptor (unknown origin) | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50021992 (CHEMBL3299005) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50021992 (CHEMBL3299005) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis | J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50021992 (CHEMBL3299005) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane | Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50021992 (CHEMBL3299005) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50021992 (CHEMBL3299005) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis | J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50021992 (CHEMBL3299005) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 497 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis | J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 149 | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor in human HEK293 cells after 30 mins by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Mercachem Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor in human HEK293 cells after 30 mins by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting | Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting | Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50021992 (CHEMBL3299005) | 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 | 110 | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid... | J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP | |||||||||||
More data for this Ligand-Target Pair |