BDBM50149381 1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide::CHEMBL120758
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=KHMNQJDESQDVPF-FKBYEOEOSA-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 (Homo sapiens (Human)) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) | Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand | J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) | Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand | J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | 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 | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Medical University Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB | |||||||||||
More data for this Ligand-Target Pair |