BDBM50190362 1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminomethyl-(1,2,4-triazol-4-yl)}-3-phenol::3-(3-(4-tert-butylphenyl)-5-((dimethylamino)methyl)-4H-1,2,4-triazol-4-yl)phenol::CHEMBL212375
SMILES: CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
InChI Key: InChIKey=VARCIQVXDHUYNT-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL | Assay Description Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells | J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL | Assay Description Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL | Assay Description Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells | J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL | Assay Description Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells | J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL | Assay Description Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50190362 (1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL | Assay Description Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14 | |||||||||||
More data for this Ligand-Target Pair |