BDBM50018707 2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-pentanoylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-hydroxy-butyric acid::CHEMBL2370601
SMILES: CC[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
InChI Key: InChIKey=CBPOZLIYAVCTOE-QQMZDXHTSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50018707 (2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes | J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50018707 (2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes | J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50018707 (2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi... | J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37 | |||||||||||
More data for this Ligand-Target Pair |