BDBM50001092 13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid methyl ester; hydrochloride::CHEMBL555618
SMILES: COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
InChI Key: InChIKey=QCBFVBGVOQHFKX-GWUOUMRYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50001092 (13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay | J Med Chem 35: 2928-38 (1992) BindingDB Entry DOI: 10.7270/Q2ST7QF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50001092 (13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay | J Med Chem 35: 2928-38 (1992) BindingDB Entry DOI: 10.7270/Q2ST7QF6 | |||||||||||
More data for this Ligand-Target Pair |