BDBM50082831 1'-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-4-phenyl-[1,4']bipiperidinyl-4-carboxylic acid methyl ester::CHEMBL342064
SMILES: CCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O
InChI Key: InChIKey=KKSBBZJXYCLTSE-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)) | BDBM50082831 (1'-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl-2-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 81 | 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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50082831 (1'-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl-2-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.47E+4 | 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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50082831 (1'-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl-2-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.55E+4 | 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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW | |||||||||||
More data for this Ligand-Target Pair |