BDBM50045114 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one::CHEMBL55033::EKC
SMILES: CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21
InChI Key: InChIKey=SEJUQQOPVAUETF-UHFFFAOYSA-N
Data: 13 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 |
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Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity to KOR (unknown origin) | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity to MOR (unknown origin) | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by PDSP Ki Database | J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by PDSP Ki Database | J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by PDSP Ki Database | J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G_PROTEIN_RECEP_F1_2 domain-containing protein (Cavia porcellus) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes after 3 hrs by scintillation counting method | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity to DOR (unknown origin) | Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine | J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine | J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH | |||||||||||
More data for this Ligand-Target Pair |