Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'shih' and Initial = 'sr'   

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 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM92520 (TG-0204998) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41| Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	-42.4	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11233 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	54	-41.5	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r| Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	58	-41.3	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM92521 (TG-0205486) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40| Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	99	-40.0	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM92521 (TG-0205486) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40| Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	-36.5	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM92520 (TG-0204998) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41| Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-34.8	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r| Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM11233 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	-32.0	n/a	n/a	n/a	n/a	n/a	6.5	25
National Yang-Ming University					Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...				J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50111476 (1-[5-(4''-Chloro-biphenyl-4-yloxy)-pentyl]-3-pyrid...) Show SMILES Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(C2=O)c2ccncc2)cc1 Show InChI InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory activity against Echovirus 9 using plaque reduction assay				Bioorg Med Chem Lett 15: 4206-11 (2005) Article DOI: 10.1016/j.bmcl.2005.06.069 BindingDB Entry DOI: 10.7270/Q27080ZC
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50171203 (1-[(S)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...) Show SMILES C[C@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1 Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory activity against Echovirus 9 using plaque reduction assay				Bioorg Med Chem Lett 15: 4206-11 (2005) Article DOI: 10.1016/j.bmcl.2005.06.069 BindingDB Entry DOI: 10.7270/Q27080ZC
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50171204 (1-[(R)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...) Show SMILES C[C@@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1 Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory activity against Echovirus 9 using plaque reduction assay				Bioorg Med Chem Lett 15: 4206-11 (2005) Article DOI: 10.1016/j.bmcl.2005.06.069 BindingDB Entry DOI: 10.7270/Q27080ZC
					More data for this Ligand-Target Pair