Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50040072'   

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))	BDBM50040072 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H25ClN4O7S2/c21-16-6-4-14(10-19(16)33(22,28)29)34(30,31)24-9-8-23-11-13(26)12-32-18-3-1-2-17-15(18)5-7-20(27)25-17/h1-4,6,10,13,23-24,26H,5,7-9,11-12H2,(H,25,27)(H2,22,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair