Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50422409'   

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))	BDBM50422409 (CHEMBL347582) Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422409 (CHEMBL347582) Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/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	<5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422409 (CHEMBL347582) Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair