BDBM50082802 1-(3-{[5-Carbamoyl-4-methyl-6-(4-nitro-phenyl)-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL145562
SMILES: COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(N)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
InChI Key: InChIKey=VITDWMDDGMNHHH-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)) | BDBM50082802 (1-(3-{[5-Carbamoyl-4-methyl-6-(4-nitro-phenyl)-2-o...) | 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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50082802 (1-(3-{[5-Carbamoyl-4-methyl-6-(4-nitro-phenyl)-2-o...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | 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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50082802 (1-(3-{[5-Carbamoyl-4-methyl-6-(4-nitro-phenyl)-2-o...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 140 | 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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2 | |||||||||||
More data for this Ligand-Target Pair |