BDBM50019051 2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-tert-butoxy-butyric acid::CHEMBL55498
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O
InChI Key: InChIKey=NIANGYNZCVNZKY-ATVRVZFISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50019051 (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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UA 498 CNRS Curated by ChEMBL | Assay Description Inhibition of [3H]-DTLET binding torat brain membrane Opioid receptor delta 1 | J Med Chem 31: 1891-7 (1988) BindingDB Entry DOI: 10.7270/Q2GB231V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50019051 (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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UA 498 CNRS Curated by ChEMBL | Assay Description Inhibition of [3H]-DAGO binding to rat brain membrane Opioid receptor mu 1 | J Med Chem 31: 1891-7 (1988) BindingDB Entry DOI: 10.7270/Q2GB231V | |||||||||||
More data for this Ligand-Target Pair |