Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090312'   

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))	BDBM50090312 (CHEMBL296965 | N-[3-(4-Cyano-4-phenyl-piperidin-1-...) Show SMILES O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31N3O/c30-23-29(26-15-8-3-9-16-26)17-21-32(22-18-29)20-10-19-31-28(33)27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-22H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair