BDBM50082855 5-Acetyl-6-(3,4-difluoro-phenyl)-4-methyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carboxylic acid {3-[4-(2-carbamoyl-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL145574
SMILES: CC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O
InChI Key: InChIKey=MGEPWLHHOOYNQU-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)) | BDBM50082855 (5-Acetyl-6-(3,4-difluoro-phenyl)-4-methyl-2-oxo-3,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.700 | 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)) | BDBM50082855 (5-Acetyl-6-(3,4-difluoro-phenyl)-4-methyl-2-oxo-3,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 170 | 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)) | BDBM50082855 (5-Acetyl-6-(3,4-difluoro-phenyl)-4-methyl-2-oxo-3,...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 290 | 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 |