Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50164459'   

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/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50164459 (2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-piperazi...) Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12 |c:19| Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes				J Med Chem 48: 2548-2558 (2005) Article DOI: 10.1021/jm048999e BindingDB Entry DOI: 10.7270/Q23F4PNB
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