BDBM50074009 CHEMBL431631::N-[1'-(2-methoxyphenethyl)-4-oxospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-7-yl]methanesulfonamide
SMILES: COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
InChI Key: InChIKey=QBFJWYVQWOPOQH-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)) | BDBM50074009 (CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells | Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50074009 (CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells | Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50074009 (CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells | Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP | |||||||||||
More data for this Ligand-Target Pair |