Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50231447'   

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 (Rattus norvegicus (Rat))	BDBM50231447 (CHEMBL252030 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3| Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-7-19-16-18(6-8-20(19)22)10-11-27-12-14-28(15-13-27)24-21-4-2-3-5-23(21)30-26-24/h2-6,8,16,22H,7,9-15H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
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