BDBM50084999 4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahydro-4H-furo[3,4-d]pyrimidine-3-carboxylic acid {3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL51871
SMILES: [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1
InChI Key: InChIKey=DTQNYMCALLNMCV-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50084999 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor | Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50084999 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor | Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50084999 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor | Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M | |||||||||||
More data for this Ligand-Target Pair |