BDBM50160152 3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-5-methyl-1H-pyrimidine-2,4-dione::3-(3-{4-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL24777::RS-100975::Ro-700004
SMILES: Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
InChI Key: InChIKey=WEZFJPKJUIGDPS-UHFFFAOYSA-N
Data: 7 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)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin Curated by PDSP Ki Database | J Med Chem 49: 501-10 (2006) Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | 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; ++:moderately 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)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | 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)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 63 | 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)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 79 | 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 | |||||||||||||
ADRA1B (Mus musculus) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin Curated by PDSP Ki Database | J Med Chem 49: 501-10 (2006) Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin Curated by PDSP Ki Database | J Med Chem 49: 501-10 (2006) Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3 | ||||||||||||
More data for this Ligand-Target Pair |