Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50156267'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156267 (3-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfony...) Show SMILES CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 Show InChI InChI=1S/C25H28N4O5S2/c1-35(31,32)24-10-4-9-22-18(15-28-25(22)24)11-12-27-16-23(30)17-5-2-7-20(13-17)29-36(33,34)21-8-3-6-19(26)14-21/h2-10,13-15,23,27-30H,11-12,16,26H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 14: 5963-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.054 BindingDB Entry DOI: 10.7270/Q2BZ65HF
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