BDBM50121648 2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-(1H-benzoimidazol-2-yl)-propionic acid
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(O)=O
InChI Key: InChIKey=JXFPKICARFQMQZ-UDMWCJJBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50121648 (2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50121648 (2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 21.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50121648 (2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description In vitro inhibitory activity against electrically evoked contractions of guinea pig ileum (GPI) | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50121648 (2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description In vitro inhibitory activity against electrically evoked contractions of in mouse vas deferens (MVD) | J Med Chem 45: 5556-63 (2002) BindingDB Entry DOI: 10.7270/Q2BR8SWH | |||||||||||
More data for this Ligand-Target Pair |