Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50224031'   

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))	BDBM50224031 (6-(4-(2-((S)-2-hydroxy-3-(3-isopropyl-2-oxoindolin...) Show SMILES CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:3.2| Show InChI InChI=1S/C30H36N4O5/c1-18(2)26-27-23(34-29(26)37)6-5-7-24(27)38-17-21(35)16-33-30(3,4)14-19-8-11-22(12-9-19)39-25-13-10-20(15-32-25)28(31)36/h5-13,15,18,21,26,33,35H,14,16-17H2,1-4H3,(H2,31,36)(H,34,37)/t21-,26?/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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP level				Bioorg Med Chem Lett 17: 6270-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.011 BindingDB Entry DOI: 10.7270/Q22V2FV6
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