BDBM50019050 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL301702
SMILES: CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
InChI Key: InChIKey=MCMMCRYPQBNCPH-SGKWCMOWSA-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)) | BDBM50019050 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 19 | 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)) | BDBM50019050 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 993 | 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 |