Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50211359'   

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))	BDBM50211359 (CHEMBL232607 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...) Show SMILES COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,12.12,(2.34,4.24,;3.12,2.91,;4.66,2.93,;5.42,4.27,;6.96,4.29,;7.74,2.96,;6.99,1.62,;5.44,1.61,;4.68,.27,;3.35,1.04,;6,-.5,;3.9,-1.06,;2.35,-1.03,;1.55,-2.35,;.02,-2.33,;-.73,-.98,;.05,.34,;1.6,.32,;-2.27,-.96,;-3.04,-2.28,;-4.58,-2.26,;-5.35,-.93,;-4.55,.39,;-3.01,.38,;-6.88,-.91,;-7.66,-2.23,;-9.19,-2.22,;-9.96,-.87,;-9.17,.46,;-7.63,.44,;-6.84,1.76,;-7.6,3.1,;-6.81,4.43,;-9.14,3.12,)| Show InChI InChI=1S/C25H36N4O4S/c1-19(2)33-23-7-5-4-6-22(23)29-16-14-28(15-17-29)21-10-8-20(9-11-21)27-34(30,31)25-18-26-13-12-24(25)32-3/h4-7,12-13,18-21,27H,8-11,14-17H2,1-3H3/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1A receptor				Bioorg Med Chem Lett 17: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
					More data for this Ligand-Target Pair