BDBM50312861 (2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,2',2''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azanediyl))tris(2-oxoethane-2,1-diyl))tris(3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepine-4,2-diyl))tris(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide)::CHEMBL1076726
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O
InChI Key: InChIKey=PRNBTKYAMOLYOE-SULQXJCYSA-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)) | BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes | Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes | Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Antagonist activity at delta opioid receptor in mouse vas deferens | Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Antagonist activity at mu opioid receptor in guinea pig ileum | Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB | |||||||||||
More data for this Ligand-Target Pair |