Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'sundermann' and Initial = 'tr'   

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
Trypsin (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513214 (CHEMBL4586045) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50424712 (CAMOSTAT | Camostat Mesilate | Foipan) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513218 (CHEMBL4451902) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(N)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522790 (CHEMBL3741422) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H44N8O5/c35-20-8-7-14-27(41-32(45)28(15-9-21-39-34(37)38)40-31(44)25-12-5-2-6-13-25)33(46)42-29(30(36)43)24-16-18-26(19-17-24)47-22-23-10-3-1-4-11-23/h1-6,10-13,16-19,27-29H,7-9,14-15,20-22,35H2,(H2,36,43)(H,40,44)(H,41,45)(H,42,46)(H4,37,38,39)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522792 (CHEMBL4469272) Show SMILES C[C@](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50424712 (CAMOSTAT | Camostat Mesilate | Foipan) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50522790 (CHEMBL3741422) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H44N8O5/c35-20-8-7-14-27(41-32(45)28(15-9-21-39-34(37)38)40-31(44)25-12-5-2-6-13-25)33(46)42-29(30(36)43)24-16-18-26(19-17-24)47-22-23-10-3-1-4-11-23/h1-6,10-13,16-19,27-29H,7-9,14-15,20-22,35H2,(H2,36,43)(H,40,44)(H,41,45)(H,42,46)(H4,37,38,39)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513218 (CHEMBL4451902) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(N)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522787 (CHEMBL4464884) Show SMILES CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522793 (CHEMBL4545026) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H46N8O5/c1-43(34(47)26-13-6-3-7-14-26)29(16-10-22-40-35(38)39)33(46)41-28(15-8-9-21-36)32(45)42-30(31(37)44)25-17-19-27(20-18-25)48-23-24-11-4-2-5-12-24/h2-7,11-14,17-20,28-30H,8-10,15-16,21-23,36H2,1H3,(H2,37,44)(H,41,46)(H,42,45)(H4,38,39,40)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522789 (CHEMBL4474101) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@](C)(C(N)=O)c1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H42N8O4/c1-29(27(31)41,21-14-7-4-8-15-21)36-24(38)22(16-9-10-18-30)35-25(39)23(17-11-19-34-28(32)33)37(2)26(40)20-12-5-3-6-13-20/h3-8,12-15,22-23H,9-11,16-19,30H2,1-2H3,(H2,31,41)(H,35,39)(H,36,38)(H4,32,33,34)/t22-,23-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50026765 (CHEMBL3335494) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H38N8O4/c28-16-8-7-14-20(26(39)35-22(23(29)36)18-10-3-1-4-11-18)34-25(38)21(15-9-17-32-27(30)31)33-24(37)19-12-5-2-6-13-19/h1-6,10-13,20-22H,7-9,14-17,28H2,(H2,29,36)(H,33,37)(H,34,38)(H,35,39)(H4,30,31,32)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522785 (CHEMBL4563546) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-36(27(40)20-13-6-3-7-14-20)22(16-10-18-33-28(31)32)26(39)34-21(15-8-9-17-29)25(38)35-23(24(30)37)19-11-4-2-5-12-19/h2-7,11-14,21-23H,8-10,15-18,29H2,1H3,(H2,30,37)(H,34,39)(H,35,38)(H4,31,32,33)/t21-,22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50522791 (CHEMBL3740277) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H38N8O4/c28-16-8-7-14-20(26(39)35-22(23(29)36)18-10-3-1-4-11-18)34-25(38)21(15-9-17-32-27(30)31)33-24(37)19-12-5-2-6-13-19/h1-6,10-13,20-22H,7-9,14-17,28H2,(H2,29,36)(H,33,37)(H,34,38)(H,35,39)(H4,30,31,32)/t20-,21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522791 (CHEMBL3740277) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H38N8O4/c28-16-8-7-14-20(26(39)35-22(23(29)36)18-10-3-1-4-11-18)34-25(38)21(15-9-17-32-27(30)31)33-24(37)19-12-5-2-6-13-19/h1-6,10-13,20-22H,7-9,14-17,28H2,(H2,29,36)(H,33,37)(H,34,38)(H,35,39)(H4,30,31,32)/t20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522786 (CHEMBL4519077) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H38N8O5/c29-16-8-7-14-20(26(40)36-22(24(30)38)18-10-3-1-4-11-18)34-25(39)21(15-9-17-33-28(31)32)35-27(41)23(37)19-12-5-2-6-13-19/h1-6,10-13,20-22H,7-9,14-17,29H2,(H2,30,38)(H,34,39)(H,35,41)(H,36,40)(H4,31,32,33)/t20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50522793 (CHEMBL4545026) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H46N8O5/c1-43(34(47)26-13-6-3-7-14-26)29(16-10-22-40-35(38)39)33(46)41-28(15-8-9-21-36)32(45)42-30(31(37)44)25-17-19-27(20-18-25)48-23-24-11-4-2-5-12-24/h2-7,11-14,17-20,28-30H,8-10,15-16,21-23,36H2,1H3,(H2,37,44)(H,41,46)(H,42,45)(H4,38,39,40)/t28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513217 (CHEMBL4439506) Show SMILES NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1 Show InChI InChI=1S/C13H20N6O2/c14-12(15)18-7-1-2-8-21-11(20)9-3-5-10(6-4-9)19-13(16)17/h3-6H,1-2,7-8H2,(H4,14,15,18)(H4,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522788 (CHEMBL4519543) Show SMILES C[C@@](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513216 (CHEMBL4453926) Show SMILES NC(=N)NCCCOC(=O)c1ccc(NC(N)=N)cc1 Show InChI InChI=1S/C12H18N6O2/c13-11(14)17-6-1-7-20-10(19)8-2-4-9(5-3-8)18-12(15)16/h2-5H,1,6-7H2,(H4,13,14,17)(H4,15,16,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50522792 (CHEMBL4469272) Show SMILES C[C@](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of dengue virus serotype 2 His-tagged NS2B cofactor domain-NS3 protease expressed in Escherichia coli using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-N...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513214 (CHEMBL4586045) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513212 (CHEMBL4467388) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1 Show InChI InChI=1S/C15H17N7O/c16-14(17)21-10-6-4-9(5-7-10)13(23)20-11-2-1-3-12(8-11)22-15(18)19/h1-8H,(H,20,23)(H4,16,17,21)(H4,18,19,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50522787 (CHEMBL4464884) Show SMILES CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513219 (CHEMBL4437757) Show SMILES NC(=N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H15N5O2/c15-9-1-7-12(8-2-9)21-14(20)19-11-5-3-10(4-6-11)18-13(16)17/h1-8H,15H2,(H,19,20)(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair