BDBM50199862 (S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydroxy-phenyl)-propionylamino]-hexyl}-3-(4-hydroxy-phenyl)-propionamide::CHEMBL232303
SMILES: Oc1ccc(C[C@H](NCC=C)C(=O)NCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)cc1
InChI Key: InChIKey=LRTMETRSFGLQOB-NSOVKSMOSA-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)) | BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 51.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig intestine assessed as inhibition of electrically evoked myenteric plexus longitudinal mu... | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair |