Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50081831'   

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))	BDBM50081831 (2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...) Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34| Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(35(29-16-18-32(19-17-29)46(49)50)37(38(47)42-4-2)34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35,37H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1a adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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