BDBM50082844 6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1,5-dicarboxylic acid 5-amide 1-({3-[4-(2-carbamoyl-phenyl)-piperazin-1-yl]-propyl}-amide)::CHEMBL142718
SMILES: CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(N)=O
InChI Key: InChIKey=AVZNXYFYVNZTRE-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)) | BDBM50082844 (6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-...) | 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 |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes. | J Med Chem 42: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50082844 (6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes. | J Med Chem 42: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50082844 (6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes. | J Med Chem 42: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0 | |||||||||||
More data for this Ligand-Target Pair |