Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50010833'   

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))	BDBM50010833 (CHEMBL552615 | CHEMBL99585 | Ersentilide | N-(4-{2...) Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description In vitro Beta-1 adrenergic receptor affinity in partially purified membrane fractions from canine cardiac tissue using [SH]dihydroalprenolol (4.5 nM)				J Med Chem 33: 1087-90 (1990) BindingDB Entry DOI: 10.7270/Q2DB82FG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50010833 (CHEMBL552615 | CHEMBL99585 | Ersentilide | N-(4-{2...) Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs				J Med Chem 33: 2883-91 (1990) BindingDB Entry DOI: 10.7270/Q2416XN5
					More data for this Ligand-Target Pair