BDBM50160148 (S)-4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-3-[3-(3'',4'',5'',6''-tetrahydro-2''H-[2,4'']bipyridinyl-1''-yl)-propylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL182998::L-771688
SMILES: COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
InChI Key: InChIKey=FFXFCSQUTLDLAR-VWLOTQADSA-N
Data: 1 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)) | BDBM50160148 ((S)-4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active | Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW | |||||||||||
More data for this Ligand-Target Pair |