Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50287798'   

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))	BDBM50287798 (4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...) Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...				Bioorg Med Chem Lett 6: 2253-2258 (1996) Article DOI: 10.1016/0960-894X(96)00417-9 BindingDB Entry DOI: 10.7270/Q2RJ4JGC
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