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 = 'BDBM50473295'   

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))	BDBM50473295 (CHEMBL66172) Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl Show InChI InChI=1S/C34H47ClN6O4/c1-43-30-12-6-5-11-28(30)39-21-17-37(18-22-39)15-9-3-4-10-16-41-34(42)33(35)29(27-36-41)40-23-19-38(20-24-40)25-26-45-32-14-8-7-13-31(32)44-2/h5-8,11-14,27H,3-4,9-10,15-26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane using [3H]-prazosin radioligand				J Med Chem 44: 2118-32 (2001) Article DOI: 10.1021/jm010821u BindingDB Entry DOI: 10.7270/Q2W3802N
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