BDBM50334996 (S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-1-oxo-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-ylamino)-2-oxoethylamino)-1-oxopropan-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide::CHEMBL1649943
SMILES: CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
InChI Key: InChIKey=KLGSIEGKQXHQIC-VECIQGBVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-1-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.140 | 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 cells | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-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 | 0.310 | 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 assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-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 | 0.310 | 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 assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-1-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-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 | 0.160 | 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 assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50334996 ((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-1-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.389 | 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 cells | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair |