Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50096776'   

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))	BDBM50096776 ((R)-2-(2-{4-[1-(3-Fluoro-phenylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(F)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23FN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
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