Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'hsiao' and Initial = 'cd'   

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
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description Kinetic parameters were obtained using various concentrations of FRET peptide in the fluorescent assay. The maximal velocity (Vmax) and Michaelis–Men...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
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Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM96545 (2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulf...) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420290 (HL-8) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C12H6Cl4O4S/c13-5-1-7(15)11(17)9(3-5)21(19,20)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420286 (HL-5) Show SMILES Oc1c(Sc2cc(Cl)cc(c2O)[N+]([O-])=O)cc(Cl)cc1[N+]([O-])=O Show InChI InChI=1S/C12H6Cl2N2O6S/c13-5-1-7(15(19)20)11(17)9(3-5)23-10-4-6(14)2-8(12(10)18)16(21)22/h1-4,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420287 (HL-6 | acs.jmedchem.1c00409_ST.470) Show SMILES CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(Cl)c(Cl)cc(Cl)c1OC(C)=O Show InChI InChI=1S/C16H8Cl6O4S/c1-5(23)25-13-9(19)3-7(17)11(21)15(13)27-16-12(22)8(18)4-10(20)14(16)26-6(2)24/h3-4H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420289 (HL-7 | US11759530, Compound Table1.6) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1S(=O)(=O)c1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C12H4Cl6O4S/c13-3-1-5(15)9(19)11(7(3)17)23(21,22)12-8(18)4(14)2-6(16)10(12)20/h1-2,19-20H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420282 (HL-2) Show SMILES Oc1c(Br)cc(Cl)cc1Cc1cc(Cl)cc(Br)c1O Show InChI InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420281 (HL-1) Show SMILES Cc1cc(Cl)cc(Cc2cc(Cl)cc(C)c2O)c1O Show InChI InChI=1S/C15H14Cl2O2/c1-8-3-12(16)6-10(14(8)18)5-11-7-13(17)4-9(2)15(11)19/h3-4,6-7,18-19H,5H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM420285 (HL-4) Show SMILES Oc1c(Br)cc(Cl)cc1Sc1cc(Cl)cc(Br)c1O Show InChI InChI=1S/C12H6Br2Cl2O2S/c13-7-1-5(15)3-9(11(7)17)19-10-4-6(16)2-8(14)12(10)18/h1-4,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair