Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50000581   

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 (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007478 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007478 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	175	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair