Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082816'   

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))	BDBM50082816 (3-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propylcarba...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4| Show InChI InChI=1S/C29H31F2N5O4/c1-19-24(26(37)40-2)25(20-9-10-22(30)23(31)17-20)36(28(39)34-19)27(38)33-13-6-14-35-15-11-29(18-32,12-16-35)21-7-4-3-5-8-21/h3-5,7-10,17,25H,6,11-16H2,1-2H3,(H,33,38)(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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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