Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50081825'   

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))	BDBM50081825 (2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-...) Show SMILES CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1| Show InChI InChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	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
					More data for this Ligand-Target Pair