Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50416776'   

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))	BDBM50416776 (CHEMBL1241557) Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C31H39N3O5/c1-37-27-12-6-5-11-26(27)33-17-15-32(16-18-33)21-25-22-38-31(39-25,24-9-3-2-4-10-24)23-34-28(35)19-30(20-29(34)36)13-7-8-14-30/h2-6,9-12,25H,7-8,13-23H2,1H3/t25-,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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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