Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50023186'   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50023186 (CHEMBL3298748) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1 Show InChI InChI=1S/C34H37N5O4S/c1-43-28-13-7-6-12-27(28)38-20-17-37(18-21-38)19-22-39-33(41)32-31(36-34(39)42)26-23-25(15-16-29(26)44-32)35-30(40)14-8-5-11-24-9-3-2-4-10-24/h2-4,6-7,9-10,12-13,15-16,23H,5,8,11,14,17-22H2,1H3,(H,35,40)(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells				Eur J Med Chem 83: 419-32 (2014) Article DOI: 10.1016/j.ejmech.2014.06.057 BindingDB Entry DOI: 10.7270/Q2639RBH
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