Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50246331'   

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))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
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