BDBM21120 (2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-N-[(1R)-1-({2-oxo-2-[4-(N-phenylpropanamido)piperidin-1-yl]ethyl}carbamoyl)ethyl]propanamide::4-anilidopiperidine, 15
SMILES: CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccccc1
InChI Key: InChIKey=WISQJIUXKHALDB-BWKNWUBXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21120 ((2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-N-[(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 40 | -10.1 | n/a | n/a | 82 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21120 ((2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-N-[(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 180 | -9.19 | n/a | n/a | 170 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P | |||||||||||
More data for this Ligand-Target Pair |