Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50081822'   

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))	BDBM50081822 (2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...) Show SMILES COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26| Show InChI InChI=1S/C38H46N6O6/c1-26-33(36(40)45)34(27-9-13-30(14-10-27)44(47)48)35(32(42-26)25-50-24-19-39)37(46)41-20-6-21-43-22-17-38(18-23-43,28-7-4-3-5-8-28)29-11-15-31(49-2)16-12-29/h3-5,7-16,33-34H,6,17-25,39H2,1-2H3,(H2,40,45)(H,41,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	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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