Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'droux' and Initial = 's'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM27960 ((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...) Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	3	n/a	n/a	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27959 (4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]ami...) Show SMILES CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	180	-38.1	330	n/a	9.10	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27955 ((-)-Zilpaterol | (9R,10R)-9-hydroxy-10-(propan-2-y...) Show SMILES CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	320	-36.7	620	n/a	8.70	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	510	-35.6	980	n/a	19	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	570	-35.3	1.30E+3	n/a	6.20	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27956 ((rac)-Zilpaterol | 9-hydroxy-10-(propan-2-ylamino)...) Show SMILES CC(C)NC1CCn2c3c(cccc3[nH]c2=O)C1O Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	580	-35.2	1.10E+3	n/a	13	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM27957 ((+)-Zilpaterol | (9S,10S)-9-hydroxy-10-(propan-2-y...) Show SMILES CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.00E+3	-29.1	1.70E+4	n/a	1.40E+5	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM27955 ((-)-Zilpaterol | (9R,10R)-9-hydroxy-10-(propan-2-y...) Show SMILES CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+5	-22.0	3.20E+5	n/a	>1.00E+6	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27957 ((+)-Zilpaterol | (9S,10S)-9-hydroxy-10-(propan-2-y...) Show SMILES CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair