Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082788'   

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))	BDBM50082788 (3-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4| Show InChI InChI=1S/C34H37N5O6/c1-24-29(31(40)45-2)30(25-14-16-28(17-15-25)39(43)44)38(33(42)36-24)32(41)35-20-9-21-37-22-18-34(19-23-37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,30H,9,18-23H2,1-2H3,(H,35,41)(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2
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