Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090313'   

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))	BDBM50090313 (CHEMBL432302 | N-[3-(4'-Cyano-3',4',5',6'-tetrahyd...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccn1)c1ccc(C)cc1 Show InChI InChI=1S/C30H34N4O/c1-23-7-11-25(12-8-23)28(26-13-9-24(2)10-14-26)29(35)33-18-5-19-34-20-15-30(22-31,16-21-34)27-6-3-4-17-32-27/h3-4,6-14,17,28H,5,15-16,18-21H2,1-2H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
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