BDBM50073515 CHEMBL405663::N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydroxy-tetrahydro-pyran-2-ylmethoxycarbonyl)-2-hydroxy-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-3-{2-[2-(2-amino-2-[4-hydroxy-phenyl]-acetylamino)-propionylamino]-3-phenyl-propionylamino}-succinamic acid
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key: InChIKey=FNJRPUGTKUHJOH-JFXHUFFTSA-N
Data: 2 KI
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 (MOUSE) | BDBM50073515 (CHEMBL405663 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University "La Sapienza" of Rome Curated by ChEMBL | Assay Description Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain. | J Med Chem 42: 400-4 (1999) Article DOI: 10.1021/jm9810699 BindingDB Entry DOI: 10.7270/Q2KD1X2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50073515 (CHEMBL405663 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University "La Sapienza" of Rome Curated by ChEMBL | Assay Description Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain. | J Med Chem 42: 400-4 (1999) Article DOI: 10.1021/jm9810699 BindingDB Entry DOI: 10.7270/Q2KD1X2G | |||||||||||
More data for this Ligand-Target Pair |