Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50029954   

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
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289659 (CHEMBL49336 | [(S)-1-(4-Oxo-4H-thieno[3,2-d][1,3]o...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C16H14N2O4S/c1-10(14-18-12-7-8-23-13(12)15(19)22-14)17-16(20)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,20)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289663 (CHEMBL299316 | [(S)-2-Hydroxy-1-(4-oxo-4H-thieno[3...) Show SMILES OC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C16H14N2O5S/c19-8-12(14-17-11-6-7-24-13(11)15(20)23-14)18-16(21)22-9-10-4-2-1-3-5-10/h1-7,12,19H,8-9H2,(H,18,21)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289665 ((4-Oxo-4H-thieno[3,2-d][1,3]oxazin-2-ylmethyl)-car...) Show SMILES O=C(NCc1nc2ccsc2c(=O)o1)OCc1ccccc1 Show InChI InChI=1S/C15H12N2O4S/c18-14-13-11(6-7-22-13)17-12(21-14)8-16-15(19)20-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289660 (CHEMBL49670 | [(S)-1-(7-Methyl-4-oxo-4H-thieno[3,2...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2c(C)csc2c(=O)o1 Show InChI InChI=1S/C17H16N2O4S/c1-10-9-24-14-13(10)19-15(23-16(14)20)11(2)18-17(21)22-8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289664 (CHEMBL299594 | [(S)-1-(4-Oxo-6-phenyl-4H-thieno[3,...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(sc2c(=O)o1)-c1ccccc1 Show InChI InChI=1S/C22H18N2O4S/c1-14(23-22(26)27-13-15-8-4-2-5-9-15)20-24-17-12-18(16-10-6-3-7-11-16)29-19(17)21(25)28-20/h2-12,14H,13H2,1H3,(H,23,26)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289666 (CHEMBL47729 | [(S)-3-Carbamoyl-1-(4-oxo-4H-thieno[...) Show SMILES NC(=O)CC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C18H17N3O5S/c19-14(22)7-6-13(16-20-12-8-9-27-15(12)17(23)26-16)21-18(24)25-10-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H2,19,22)(H,21,24)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289658 (CHEMBL45609 | [(S)-2-Carbamoyl-1-(4-oxo-4H-thieno[...) Show SMILES NC(=O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C17H15N3O5S/c18-13(21)8-12(15-19-11-6-7-26-14(11)16(22)25-15)20-17(23)24-9-10-4-2-1-3-5-10/h1-7,12H,8-9H2,(H2,18,21)(H,20,23)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289661 (CHEMBL45791 | [(S)-2-Methyl-1-(4-oxo-4H-thieno[3,2...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C18H18N2O4S/c1-11(2)14(16-19-13-8-9-25-15(13)17(21)24-16)20-18(22)23-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,22)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50288084 (CHEMBL49391 | [(S)-1-(4-Oxo-4H-benzo[d][1,3]oxazin...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C18H16N2O4/c1-12(19-18(22)23-11-13-7-3-2-4-8-13)16-20-15-10-6-5-9-14(15)17(21)24-16/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50288102 (CHEMBL45496 | [(S)-1-(5-Methyl-4-oxo-4H-benzo[d][1...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C19H18N2O4/c1-12-7-6-10-15-16(12)18(22)25-17(21-15)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50289662 (CHEMBL301380 | [(S)-1-(4-Oxo-4H-thieno[3,2-d][1,3]...) Show SMILES O=C(N[C@@H](Cc1ccccc1)c1nc2ccsc2c(=O)o1)OCc1ccccc1 Show InChI InChI=1S/C22H18N2O4S/c25-21-19-17(11-12-29-19)23-20(28-21)18(13-15-7-3-1-4-8-15)24-22(26)27-14-16-9-5-2-6-10-16/h1-12,18H,13-14H2,(H,24,26)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.				Bioorg Med Chem Lett 7: 1733-1738 (1997) Article DOI: 10.1016/S0960-894X(97)00300-4 BindingDB Entry DOI: 10.7270/Q23778RS
					More data for this Ligand-Target Pair