BDBM50194274 (-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmethylmorphinan::CHEMBL373984::MCL-450
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
InChI Key: InChIKey=FYEXOHKTNZXZQH-KKEISOQISA-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)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells at 10 uM | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding | J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM | |||||||||||
More data for this Ligand-Target Pair |