Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50057471'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50057471 (CHEMBL25537 | N-[3-(4,4-Diphenyl-piperidin-1-yl)-p...) Show SMILES CC(=O)CC(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-20(27)19-23(28)25-15-8-16-26-17-13-24(14-18-26,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12H,8,13-19H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity was tested on human Alpha-1A adrenergic receptor				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
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