Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50328474'   

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 (CALF)	BDBM50328474 (1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-ind...) Show SMILES NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14,16,27H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
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