Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50211328'   

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))	BDBM50211328 (3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,wD:19.24,(21.3,5.8,;20.52,4.47,;18.98,4.49,;21.27,3.13,;20.48,1.81,;18.95,1.82,;18.16,.5,;18.92,-.85,;20.46,-.86,;21.24,.46,;22.77,.44,;23.53,-.89,;25.07,-.91,;25.85,.41,;25.1,1.75,;23.56,1.76,;27.38,.39,;28.17,1.71,;29.71,1.69,;30.46,.34,;29.67,-.98,;28.14,-.96,;32.02,.31,;32.79,1.64,;31.46,2.41,;34.12,.87,;33.55,2.98,;32.78,4.3,;33.53,5.64,;35.08,5.65,;35.86,4.33,;37.4,4.34,;35.1,2.99,)| Show InChI InChI=1S/C25H34FN3O3S/c1-19(2)32-25-9-4-3-8-24(25)29-16-14-28(15-17-29)22-12-10-21(11-13-22)27-33(30,31)23-7-5-6-20(26)18-23/h3-9,18-19,21-22,27H,10-17H2,1-2H3/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.730	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