Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50108094'   

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))	BDBM50108094 (CHEMBL3601200) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins				J Med Chem 58: 6048-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b00638 BindingDB Entry DOI: 10.7270/Q2NG4SDR
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