BDBM50160161 5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-1H-pyrimidine-2,4-dione::CHEMBL56331::RS-100329
SMILES: Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
InChI Key: InChIKey=RCOBWVAGWYRNHZ-UHFFFAOYSA-N
Data: 4 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 |
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Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50160161 (5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active | Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50160161 (5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor | Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human)) | BDBM50160161 (5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor | Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Homo sapiens (Human)) | BDBM50160161 (5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor | Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50 | |||||||||||
More data for this Ligand-Target Pair |