BDBM50000806 13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL80648
SMILES: Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
InChI Key: InChIKey=KEUIDCYDWUYLMB-TWVZQSRDSA-N
Data: 4 IC50
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 (Homo sapiens (Human)) | BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 431 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum | J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand) | J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens | J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand) | J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K | |||||||||||
More data for this Ligand-Target Pair |