Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'ehrhardt' and Initial = 'c'   

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
Prothrombin (Homo sapiens (Human))	BDBM50066770 ((3R,6S,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066766 ((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15+,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066769 ((3R,6R,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	751	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066768 ((3R,6S,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175982 (Bz-Lys-Arg-Arg-H | CHEMBL199510) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N10O4/c26-13-5-4-11-19(34-21(37)17-8-2-1-3-9-17)23(39)35-20(12-7-15-32-25(29)30)22(38)33-18(16-36)10-6-14-31-24(27)28/h1-3,8-9,16,18-20H,4-7,10-15,26H2,(H,33,38)(H,34,37)(H,35,39)(H4,27,28,31)(H4,29,30,32)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175984 (BZ-Nle-Lys-Arg-(4-guanidinyl)-Phe-H | Bz-Nle-Lys-A...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C35H53N11O5/c1-2-3-12-27(44-30(48)24-10-5-4-6-11-24)32(50)45-28(13-7-8-19-36)33(51)46-29(14-9-20-41-34(37)38)31(49)42-26(22-47)21-23-15-17-25(18-16-23)43-35(39)40/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,42,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066769 ((3R,6R,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066773 ((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9-,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066766 ((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066771 ((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCNC(N)=N Show InChI InChI=1S/C12H22N6O2S/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17)/t7-,8-,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175976 (Bz-Ala-Lys-Arg-Arg-H | CHEMBL197765) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C28H47N11O5/c1-18(36-24(42)19-9-3-2-4-10-19)23(41)38-21(12-5-6-14-29)26(44)39-22(13-8-16-35-28(32)33)25(43)37-20(17-40)11-7-15-34-27(30)31/h2-4,9-10,17-18,20-22H,5-8,11-16,29H2,1H3,(H,36,42)(H,37,43)(H,38,41)(H,39,44)(H4,30,31,34)(H4,32,33,35)/t18-,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066767 ((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175988 (Bz-Nle-Lys-Arg-(p-Me)Phe-H | CHEMBL199396) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#6])cc1)-[#6]=O Show InChI InChI=1S/C35H52N8O5/c1-3-4-13-28(41-31(45)26-11-6-5-7-12-26)33(47)42-29(14-8-9-20-36)34(48)43-30(15-10-21-39-35(37)38)32(46)40-27(23-44)22-25-18-16-24(2)17-19-25/h5-7,11-12,16-19,23,27-30H,3-4,8-10,13-15,20-22,36H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066769 ((3R,6R,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Coagulation factor X				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175987 (Bz-Phe-Lys-Arg-Arg-H | CHEMBL199736) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C34H51N11O5/c35-18-8-7-16-26(44-32(50)28(21-23-11-3-1-4-12-23)45-29(47)24-13-5-2-6-14-24)31(49)43-27(17-10-20-41-34(38)39)30(48)42-25(22-46)15-9-19-40-33(36)37/h1-6,11-14,22,25-28H,7-10,15-21,35H2,(H,42,48)(H,43,49)(H,44,50)(H,45,47)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175974 (Bz-Nle-Lys-Arg-Trp-H | CHEMBL433993) Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |wU:4.4,26.26,wD:17.17,37.37,(24.2,-41.88,;22.87,-42.66,;22.88,-44.2,;21.55,-44.97,;21.55,-46.51,;20.22,-47.29,;18.89,-46.52,;18.88,-44.98,;17.56,-47.3,;16.21,-46.53,;14.87,-47.3,;14.87,-48.86,;16.21,-49.64,;17.56,-48.86,;22.89,-47.28,;22.9,-48.82,;24.22,-46.5,;25.56,-47.27,;25.56,-48.81,;24.23,-49.58,;24.24,-51.12,;22.91,-51.9,;22.92,-53.44,;26.89,-46.49,;26.88,-44.95,;28.23,-47.25,;29.56,-46.48,;29.56,-44.94,;30.9,-44.18,;30.91,-42.64,;32.24,-41.87,;32.25,-40.33,;33.58,-39.57,;30.92,-39.56,;30.89,-47.26,;30.88,-48.8,;32.22,-46.49,;33.55,-47.27,;33.55,-48.81,;34.87,-49.59,;34.71,-51.12,;36.12,-51.75,;37.15,-50.6,;38.71,-50.6,;39.47,-49.26,;38.69,-47.92,;37.15,-47.93,;36.38,-49.26,;34.89,-46.5,;34.9,-44.96,)| Show InChI InChI=1S/C36H51N9O5/c1-2-3-15-29(43-32(47)24-12-5-4-6-13-24)34(49)44-30(17-9-10-19-37)35(50)45-31(18-11-20-40-36(38)39)33(48)42-26(23-46)21-25-22-41-28-16-8-7-14-27(25)28/h4-8,12-14,16,22-23,26,29-31,41H,2-3,9-11,15,17-21,37H2,1H3,(H,42,48)(H,43,47)(H,44,49)(H,45,50)(H4,38,39,40)/t26-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066770 ((3R,6S,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175993 (Bz-D-Nle-Lys-Arg-Arg-H | CHEMBL201775) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23+,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7| Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-MK-801 from phencyclidine binding site of NMDA receptor in human frontal cortex after 22 hrs by scintillation counting analy...				Bioorg Med Chem 23: 4277-85 (2015) Article DOI: 10.1016/j.bmc.2015.06.030 BindingDB Entry DOI: 10.7270/Q29Z96NG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066772 ((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCNC(N)=N Show InChI InChI=1S/C12H22N6O2S/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17)/t7-,8+,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175978 (Bz-Nle-Lys-Arg-(p-Ph)Phe-H | CHEMBL381854) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1ccccc1)-[#6]=O Show InChI InChI=1S/C40H54N8O5/c1-2-3-17-33(46-36(50)31-15-8-5-9-16-31)38(52)47-34(18-10-11-24-41)39(53)48-35(19-12-25-44-40(42)43)37(51)45-32(27-49)26-28-20-22-30(23-21-28)29-13-6-4-7-14-29/h4-9,13-16,20-23,27,32-35H,2-3,10-12,17-19,24-26,41H2,1H3,(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,42,43,44)/t32-,33-,34-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175981 (Bz-Arg-Arg-H | CHEMBL197766) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccccc1)-[#6]=O |r| Show InChI InChI=1S/C19H30N8O3/c20-18(21)24-10-4-8-14(12-28)26-17(30)15(9-5-11-25-19(22)23)27-16(29)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,26,30)(H,27,29)(H4,20,21,24)(H4,22,23,25)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066771 ((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCNC(N)=N Show InChI InChI=1S/C12H22N6O2S/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17)/t7-,8-,9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175985 (Bz-Nle-Phe-Arg-Arg-H | CHEMBL199582) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C34H50N10O5/c1-2-3-17-26(42-29(46)24-14-8-5-9-15-24)31(48)44-28(21-23-12-6-4-7-13-23)32(49)43-27(18-11-20-40-34(37)38)30(47)41-25(22-45)16-10-19-39-33(35)36/h4-9,12-15,22,25-28H,2-3,10-11,16-21H2,1H3,(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175986 (Bz-Nle-Lys-Arg-Phe-H | CHEMBL199727) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=O |r| Show InChI InChI=1S/C34H50N8O5/c1-2-3-17-27(40-30(44)25-15-8-5-9-16-25)32(46)41-28(18-10-11-20-35)33(47)42-29(19-12-21-38-34(36)37)31(45)39-26(23-43)22-24-13-6-4-7-14-24/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066768 ((3R,6S,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Coagulation factor X				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175968 (Bz-Nle-Lys-Arg-(p-CN)Phe-H | CHEMBL200095) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)C#N)-[#6]=O Show InChI InChI=1S/C35H49N9O5/c1-2-3-12-28(42-31(46)26-10-5-4-6-11-26)33(48)43-29(13-7-8-19-36)34(49)44-30(14-9-20-40-35(38)39)32(47)41-27(23-45)21-24-15-17-25(22-37)18-16-24/h4-6,10-11,15-18,23,27-30H,2-3,7-9,12-14,19-21,36H2,1H3,(H,41,47)(H,42,46)(H,43,48)(H,44,49)(H4,38,39,40)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066773 ((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066768 ((3R,6S,8aS)-6-(Naphthalene-1-sulfonylamino)-5-oxo-...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C22H28N6O4S2/c23-22(24)26-12-4-11-25-20(29)17-13-33-19-10-9-16(21(30)28(17)19)27-34(31,32)18-8-3-6-14-5-1-2-7-15(14)18/h1-3,5-8,16-17,19,27H,4,9-13H2,(H,25,29)(H4,23,24,26)/t16-,17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175971 (Bz-Nle-Lys-Arg-Lys-H | CHEMBL377076) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)39-25(16-8-10-19-33)30(45)40-26(17-11-20-36-31(34)35)28(43)37-23(21-41)14-7-9-18-32/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175970 (Bz-Nle-Ala-Arg-Arg-H | CHEMBL369916) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C28H46N10O5/c1-3-4-13-21(38-24(41)19-10-6-5-7-11-19)25(42)35-18(2)23(40)37-22(14-9-16-34-28(31)32)26(43)36-20(17-39)12-8-15-33-27(29)30/h5-7,10-11,17-18,20-22H,3-4,8-9,12-16H2,1-2H3,(H,35,42)(H,36,43)(H,37,40)(H,38,41)(H4,29,30,33)(H4,31,32,34)/t18-,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066772 ((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCNC(N)=N Show InChI InChI=1S/C12H22N6O2S/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17)/t7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human bovine pancreatic trypsin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066766 ((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Coagulation factor X				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175975 (Bz-Nle-D-Lys-Arg-Arg-H | CHEMBL370138) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24+,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175991 (Bz-Nle-Lys-Arg-Phg-H | CHEMBL200972) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]=O)-c1ccccc1 |r| Show InChI InChI=1S/C33H48N8O5/c1-2-3-17-25(38-29(43)24-15-8-5-9-16-24)30(44)39-26(18-10-11-20-34)31(45)40-27(19-12-21-37-33(35)36)32(46)41-28(22-42)23-13-6-4-7-14-23/h4-9,13-16,22,25-28H,2-3,10-12,17-21,34H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066770 ((3R,6S,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Coagulation factor X				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066771 ((3R,6S,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCNC(N)=N Show InChI InChI=1S/C12H22N6O2S/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17)/t7-,8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Coagulation factor X				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175990 (Bz-Nle-Lys-Phe-Arg-H | CHEMBL435122) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C34H50N8O5/c1-2-3-18-27(40-30(44)25-15-8-5-9-16-25)31(45)41-28(19-10-11-20-35)32(46)42-29(22-24-13-6-4-7-14-24)33(47)39-26(23-43)17-12-21-38-34(36)37/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,47)(H,40,44)(H,41,45)(H,42,46)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175977 (Bz-Nle-Lys-Lys-Arg-H | CHEMBL201609) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)40-26(17-8-10-19-33)30(45)39-25(16-7-9-18-32)28(43)37-23(21-41)14-11-20-36-31(34)35/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,45)(H,40,44)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175969 (Bz-N-Me-Nle-Lys-Arg-Arg-H | CHEMBL382143) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-17-26(43(2)30(48)22-12-6-5-7-13-22)29(47)42-24(15-8-9-18-33)28(46)41-25(16-11-20-39-32(36)37)27(45)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175967 (Bz-Nle-Lys-N-Me-Arg-Arg-H | CHEMBL199726) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-24(41-27(45)22-12-6-5-7-13-22)28(46)42-25(16-8-9-18-33)30(48)43(2)26(17-11-20-39-32(36)37)29(47)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,47)(H,41,45)(H,42,46)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175980 (Bz-Nle-Lys-Arg-D-Arg-H | CHEMBL199352) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175979 (Bz-Nle-Pro-Arg-Arg-H | CHEMBL382983) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C30H48N10O5/c1-2-3-13-23(39-25(42)20-10-5-4-6-11-20)28(45)40-18-9-15-24(40)27(44)38-22(14-8-17-36-30(33)34)26(43)37-21(19-41)12-7-16-35-29(31)32/h4-6,10-11,19,21-24H,2-3,7-9,12-18H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H4,31,32,35)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066767 ((3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a...) Show SMILES N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N Show InChI InChI=1S/C13H24N6O2S/c14-8-3-4-10-19(12(8)21)9(7-22-10)11(20)17-5-1-2-6-18-13(15)16/h8-10H,1-7,14H2,(H,17,20)(H4,15,16,18)/t8-,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Invitro inhibition was measured against Human Thrombin.				J Med Chem 41: 3664-74 (1998) Article DOI: 10.1021/jm981013e BindingDB Entry DOI: 10.7270/Q22R3QSZ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175965 (Bz-Nle-Lys-Pro-Arg-H | CHEMBL199987) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C30H48N8O5/c1-2-3-14-23(36-26(40)21-11-5-4-6-12-21)27(41)37-24(15-7-8-17-31)29(43)38-19-10-16-25(38)28(42)35-22(20-39)13-9-18-34-30(32)33/h4-6,11-12,20,22-25H,2-3,7-10,13-19,31H2,1H3,(H,35,42)(H,36,40)(H,37,41)(H4,32,33,34)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175973 (Bz-Nle-N-Me-Lys-Arg-Arg-H | CHEMBL381639) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-25(42-27(45)22-12-6-5-7-13-22)30(48)43(2)26(17-8-9-18-33)29(47)41-24(16-11-20-39-32(36)37)28(46)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,46)(H,41,47)(H,42,45)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175989 (Bz-Nle-Lys-D-Arg-Arg-H | CHEMBL371447) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175972 (Bz-Nle-Lys-Arg-(p-Cl)Phe-H | CHEMBL199531) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6]=O Show InChI InChI=1S/C34H49ClN8O5/c1-2-3-12-27(41-30(45)24-10-5-4-6-11-24)32(47)42-28(13-7-8-19-36)33(48)43-29(14-9-20-39-34(37)38)31(46)40-26(22-44)21-23-15-17-25(35)18-16-23/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175966 (Bz-Nle-Lys-Arg-Ala-H | CHEMBL199376) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6]=O Show InChI InChI=1S/C28H46N8O5/c1-3-4-13-21(34-24(38)20-11-6-5-7-12-20)26(40)35-22(14-8-9-16-29)27(41)36-23(15-10-17-32-28(30)31)25(39)33-19(2)18-37/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair

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