Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50023197'   

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))	BDBM50023197 (CHEMBL3298024) Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1 Show InChI InChI=1S/C36H40N6O4S/c1-25-38-34-28-24-27(39-32(43)13-8-16-37-33(44)23-26-9-4-3-5-10-26)14-15-31(28)47-35(34)36(45)42(25)22-19-40-17-20-41(21-18-40)29-11-6-7-12-30(29)46-2/h3-7,9-12,14-15,24H,8,13,16-23H2,1-2H3,(H,37,44)(H,39,43)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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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