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 = 'BDBM50473259'   

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))	BDBM50473259 (CHEMBL304325) Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCCN2CCN(CC2)c2ccccc2Cl)c(=O)c1Cl Show InChI InChI=1S/C35H48Cl2N6O3/c1-45-32-14-8-9-15-33(32)46-27-26-40-20-24-42(25-21-40)31-28-38-43(35(44)34(31)37)17-11-5-3-2-4-10-16-39-18-22-41(23-19-39)30-13-7-6-12-29(30)36/h6-9,12-15,28H,2-5,10-11,16-27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	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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