Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090318'   

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))	BDBM50090318 (CHEMBL297667 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1 Show InChI InChI=1S/C28H37N3O/c1-21(2)26(24-12-10-22(3)11-13-24)27(32)30-16-7-17-31-18-14-28(20-29,15-19-31)25-9-6-5-8-23(25)4/h5-6,8-13,21,26H,7,14-19H2,1-4H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	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