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 = 'BDBM50227842'   

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))	BDBM50227842 (CHEMBL6339) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CC2CC1C=C2 |c:32,THB:21:23:28.29:26| Show InChI InChI=1S/C22H27N5O3/c1-29-18-11-16-17(12-19(18)30-2)24-22(25-20(16)23)27-7-5-26(6-8-27)21(28)15-10-13-3-4-14(15)9-13/h3-4,11-15H,5-10H2,1-2H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging/GRC Curated by ChEMBL					Assay Description Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...				J Med Chem 32: 96-100 (1989) BindingDB Entry DOI: 10.7270/Q20G3NCC
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