Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50416781'   

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 adrenergic receptor (Homo sapiens (Human))	BDBM50416781 (CHEMBL1242632) Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C28H37N3O4/c1-33-26-13-8-7-12-25(26)30-18-16-29(17-19-30)20-24-21-34-28(35-24,23-10-4-2-5-11-23)22-31-15-9-3-6-14-27(31)32/h2,4-5,7-8,10-13,24H,3,6,9,14-22H2,1H3/t24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique				Eur J Med Chem 45: 3740-51 (2010) Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1
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