Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50232760'   

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))	BDBM50232760 (CHEMBL4104850) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN(C)C)c1 Show InChI InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
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