Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50217835'   

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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50217835 (CHEMBL114345) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30FN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
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