Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082805'   

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))	BDBM50082805 (3-{3-[4,4-Bis-(3,5-dimethyl-phenyl)-piperidin-1-yl...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 |c:4| Show InChI InChI=1S/C38H44F2N4O4/c1-23-16-24(2)19-29(18-23)38(30-20-25(3)17-26(4)21-30)10-14-43(15-11-38)13-7-12-41-36(46)44-34(28-8-9-31(39)32(40)22-28)33(35(45)48-6)27(5)42-37(44)47/h8-9,16-22,34H,7,10-15H2,1-6H3,(H,41,46)(H,42,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
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