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 = 'BDBM50473244'   

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))	BDBM50473244 (CHEMBL66747) Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl Show InChI InChI=1S/C32H43ClN6O4/c1-41-28-10-4-3-9-26(28)37-19-15-35(16-20-37)13-7-8-14-39-32(40)31(33)27(25-34-39)38-21-17-36(18-22-38)23-24-43-30-12-6-5-11-29(30)42-2/h3-6,9-12,25H,7-8,13-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	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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