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 = 'BDBM50457575'   

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))	BDBM50457575 (CHEMBL3979261) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat cerebral cortex adrenergic receptor alpha1 by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
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