Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50032364   

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-3 adrenergic receptor (Rattus norvegicus)	BDBM50327860 ((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...) Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1 Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to rat adrenergic beta3 receptor				J Med Chem 53: 7035-47 (2010) Article DOI: 10.1021/jm100668r BindingDB Entry DOI: 10.7270/Q2BR8SD7
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Rattus norvegicus)	BDBM50327863 ((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...) Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1 Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to rat adrenergic beta3 receptor				J Med Chem 53: 7035-47 (2010) Article DOI: 10.1021/jm100668r BindingDB Entry DOI: 10.7270/Q2BR8SD7
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Rattus norvegicus)	BDBM50327861 ((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...) Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to rat adrenergic beta3 receptor				J Med Chem 53: 7035-47 (2010) Article DOI: 10.1021/jm100668r BindingDB Entry DOI: 10.7270/Q2BR8SD7
					More data for this Ligand-Target Pair