BDBM50191056 (S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1-{2-[(1-phenethyl-piperidin-4-yl)-phenyl-carbamoyl]-ethylcarbamoyl}-2-phenyl-ethylcarbamoyl)-methyl]-carbamoyl}-ethyl)-propionamide::CHEMBL214022
SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
InChI Key: InChIKey=WTPXLBTVBOBEDI-JURIQKAMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated musc... | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | 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 | 60 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | 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 | 60 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated musc... | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Activity at delta opioid receptor by MVD assay | Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor | Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | 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 | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor | Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50191056 ((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Activity at mu opioid receptor by GPI/LMMP assay | Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0 | |||||||||||
More data for this Ligand-Target Pair |