BDBM50243868 (+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide::CHEMBL527199
SMILES: CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=ZAFTWOVROZMXTK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Urotensin II receptor (Homo sapiens (Human)) | BDBM50243868 ((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human urotensin2 receptor | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50243868 ((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50243868 ((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50243868 ((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair |