Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'nitsche' 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
Nonstructural protein 3 (Zika virus)	BDBM50212337 (CHEMBL5267698) Show SMILES Oc1c(-c2ccco2)c(=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C14H8ClNO4/c15-7-3-4-8-9(6-7)16-14(19)13(18)11(12(8)17)10-2-1-5-20-10/h1-6,17H,(H,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128629 BindingDB Entry DOI: 10.7270/Q2S186JS
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50212337 (CHEMBL5267698) Show SMILES Oc1c(-c2ccco2)c(=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C14H8ClNO4/c15-7-3-4-8-9(6-7)16-14(19)13(18)11(12(8)17)10-2-1-5-20-10/h1-6,17H,(H,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50587014 (CHEMBL5094815) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(OCCCCS)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:5.4,38.42,wD:9.9,35.35,(27.26,-4.16,;27.27,-5.7,;25.94,-6.47,;25.94,-8.01,;24.61,-8.79,;24.62,-10.33,;23.29,-11.1,;21.95,-10.34,;21.94,-8.8,;20.62,-11.11,;20.62,-12.65,;19.29,-13.43,;19.3,-14.97,;17.97,-15.74,;17.98,-17.28,;19.28,-10.35,;17.95,-11.12,;17.96,-12.66,;16.62,-10.36,;15.28,-11.13,;15.29,-12.68,;13.95,-13.45,;12.62,-12.68,;11.28,-13.45,;9.95,-12.68,;8.62,-13.45,;7.28,-12.68,;5.95,-13.45,;4.62,-12.68,;12.62,-11.14,;13.95,-10.37,;25.95,-11.09,;25.96,-12.63,;27.28,-10.32,;28.62,-11.08,;29.95,-10.31,;31.3,-11.08,;32.62,-10.31,;32.62,-8.77,;31.29,-8,;29.95,-8.77,;33.96,-8,;35.29,-8.77,;36.63,-8,;35.29,-10.31,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of C-terminal His-tagged ZIKV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00515 BindingDB Entry DOI: 10.7270/Q21N8511
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50030459 (CHEMBL3344321) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:34.38,9.9,wD:31.31,5.4,(16.97,-13.05,;16.9,-11.52,;15.54,-10.81,;15.47,-9.27,;14.11,-8.56,;14.04,-7.02,;12.68,-6.3,;11.38,-7.13,;11.44,-8.67,;10.01,-6.42,;9.94,-4.88,;11.24,-4.05,;11.18,-2.52,;12.48,-1.69,;12.42,-.15,;8.71,-7.24,;7.38,-6.48,;7.37,-4.94,;6.05,-7.25,;4.72,-6.48,;4.71,-4.94,;3.38,-4.17,;2.05,-4.94,;.72,-4.17,;2.05,-6.48,;.72,-7.25,;3.38,-7.25,;15.34,-6.19,;15.28,-4.65,;16.7,-6.9,;18.02,-6.09,;19.38,-6.82,;19.42,-8.36,;20.78,-9.09,;22.1,-8.27,;22.05,-6.73,;20.68,-6,;23.46,-9,;24.77,-8.18,;24.72,-6.65,;26.13,-8.91,)| Show InChI InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nonstructural protein 3 (Zika virus)	BDBM13142 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus)	BDBM50470562 (CHEMBL1230055) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C21H25ClN6O5S/c22-12-3-1-2-11(6-12)7-24-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-34-5-4-13(23)21(31)32/h1-3,6,9-10,13-14,16-17,20,29-30H,4-5,7-8,23H2,(H,31,32)(H,24,25,26)/t13-,14+,16+,17+,20+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged recombinant Dengue virus 3 2'-O methyltransferase expressed in Escherichia coli BL21 cells by scintillation count...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50587014 (CHEMBL5094815) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(OCCCCS)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:5.4,38.42,wD:9.9,35.35,(27.26,-4.16,;27.27,-5.7,;25.94,-6.47,;25.94,-8.01,;24.61,-8.79,;24.62,-10.33,;23.29,-11.1,;21.95,-10.34,;21.94,-8.8,;20.62,-11.11,;20.62,-12.65,;19.29,-13.43,;19.3,-14.97,;17.97,-15.74,;17.98,-17.28,;19.28,-10.35,;17.95,-11.12,;17.96,-12.66,;16.62,-10.36,;15.28,-11.13,;15.29,-12.68,;13.95,-13.45,;12.62,-12.68,;11.28,-13.45,;9.95,-12.68,;8.62,-13.45,;7.28,-12.68,;5.95,-13.45,;4.62,-12.68,;12.62,-11.14,;13.95,-10.37,;25.95,-11.09,;25.96,-12.63,;27.28,-10.32,;28.62,-11.08,;29.95,-10.31,;31.3,-11.08,;32.62,-10.31,;32.62,-8.77,;31.29,-8,;29.95,-8.77,;33.96,-8,;35.29,-8.77,;36.63,-8,;35.29,-10.31,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of C-terminal His-tagged WNV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00515 BindingDB Entry DOI: 10.7270/Q21N8511
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50212336 (CHEMBL5282745) Show SMILES COc1cccnc1-c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O |(12.82,-1.04,;13.08,-2.56,;14.52,-3.11,;15.71,-2.14,;17.17,-2.69,;17.41,-4.22,;16.21,-5.18,;14.76,-4.64,;13.57,-5.61,;13.91,-7.1,;15.42,-7.43,;12.91,-8.36,;13.59,-9.75,;11.44,-8.36,;10.48,-7.17,;9.09,-7.69,;7.94,-6.73,;6.49,-7.27,;8.2,-5.25,;9.6,-4.74,;10.75,-5.7,;12.15,-4.95,;12.12,-3.4,)| Show InChI InChI=1S/C16H11ClN2O4/c1-23-11-3-2-6-18-13(11)12-14(20)9-5-4-8(17)7-10(9)19-16(22)15(12)21/h2-7,21H,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM32580 (CS-3) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508772 (CHEMBL4452943) Show SMILES COc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@H](CCCCN)NC2=O)C(N)=O)cc1 |r| Show InChI InChI=1S/C96H135N17O19S/c1-108-78(53-61-22-12-11-13-23-61)88(120)106-75(27-17-21-51-100)93(125)113(6)83(58-114)96(128)111(4)81(56-65-34-44-70(131-9)45-35-65)90(122)105-74(26-16-20-50-99)92(124)112(5)82(57-66-36-46-71(132-10)47-37-66)95(127)110(3)80(55-64-32-42-69(130-8)43-33-64)87(119)103-72(24-14-18-48-97)86(118)107-77(85(101)117)59-133-60-84(116)102-76(52-62-28-38-67(115)39-29-62)94(126)109(2)79(54-63-30-40-68(129-7)41-31-63)89(121)104-73(91(108)123)25-15-19-49-98/h11-13,22-23,28-47,72-83,114-115H,14-21,24-27,48-60,97-100H2,1-10H3,(H2,101,117)(H,102,116)(H,103,119)(H,104,121)(H,105,122)(H,106,120)(H,107,118)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Non-competitive inhibition of Dengue virus 4 NS3 helicase				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Non-competitive inhibition of Dengue virus 3 NS3 helicase				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508769 (CHEMBL4483351) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)[C@@H](C)CC)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C77H113N17O18S/c1-12-41(7)63-75(109)89-57(66(81)100)37-113-38-61(99)83-53(31-44-21-25-47(96)26-22-44)68(102)85-54(33-46-36-82-50-19-15-14-18-49(46)50)69(103)84-51(20-16-17-29-78)67(101)92-64(42(8)13-2)77(111)94(10)58(32-45-23-27-48(112-11)28-24-45)73(107)86-55(34-59(79)97)72(106)93-65(43(9)95)76(110)87-52(30-39(3)4)70(104)90-62(40(5)6)74(108)88-56(35-60(80)98)71(105)91-63/h14-15,18-19,21-28,36,39-43,51-58,62-65,82,95-96H,12-13,16-17,20,29-35,37-38,78H2,1-11H3,(H2,79,97)(H2,80,98)(H2,81,100)(H,83,99)(H,84,103)(H,85,102)(H,86,107)(H,87,110)(H,88,108)(H,89,109)(H,90,104)(H,91,105)(H,92,101)(H,93,106)/t41-,42-,43+,51-,52-,53-,54-,55-,56-,57-,58-,62-,63-,64-,65-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50450046 (CHEMBL4173974) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109138 (CHEMBL3601351) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C38H51N9O6S/c39-20-8-7-14-28(35(51)46-31(32(40)48)26-12-5-2-6-13-26)45-34(50)29(15-9-21-43-37(41)42)44-33(49)27-18-16-24(17-19-27)22-30-36(52)47(38(53)54-30)23-25-10-3-1-4-11-25/h2,5-6,12-13,16-19,22,25,28-29,31H,1,3-4,7-11,14-15,20-21,23,39H2,(H2,40,48)(H,44,49)(H,45,50)(H,46,51)(H4,41,42,43)/b30-22-/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate p...				Bioorg Med Chem 23: 5748-55 (2015) Article DOI: 10.1016/j.bmc.2015.07.012 BindingDB Entry DOI: 10.7270/Q25B048V
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109138 (CHEMBL3601351) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C38H51N9O6S/c39-20-8-7-14-28(35(51)46-31(32(40)48)26-12-5-2-6-13-26)45-34(50)29(15-9-21-43-37(41)42)44-33(49)27-18-16-24(17-19-27)22-30-36(52)47(38(53)54-30)23-25-10-3-1-4-11-25/h2,5-6,12-13,16-19,22,25,28-29,31H,1,3-4,7-11,14-15,20-21,23,39H2,(H2,40,48)(H,44,49)(H,45,50)(H,46,51)(H4,41,42,43)/b30-22-/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Competitive inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as...				Bioorg Med Chem 23: 5748-55 (2015) Article DOI: 10.1016/j.bmc.2015.07.012 BindingDB Entry DOI: 10.7270/Q25B048V
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508771 (CHEMBL4555617) Show SMILES COc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(N)=O)[C@@H](C)O)cc1 |r| Show InChI InChI=1S/C89H106N14O20S/c1-50(2)39-64-79(112)98-71(45-57-24-34-62(108)35-25-57)89(122)103-38-12-17-73(103)85(118)99-70(44-56-22-32-61(107)33-23-56)88(121)102(4)74(46-58-26-36-63(123-5)37-27-58)86(119)96-68(41-53-15-10-7-11-16-53)82(115)100-72(78(91)111)48-124-49-76(110)92-65(42-54-18-28-59(105)29-19-54)84(117)101-77(51(3)104)87(120)97-69(47-75(90)109)83(116)95-66(40-52-13-8-6-9-14-52)81(114)94-67(80(113)93-64)43-55-20-30-60(106)31-21-55/h6-11,13-16,18-37,50-51,64-74,77,104-108H,12,17,38-49H2,1-5H3,(H2,90,109)(H2,91,111)(H,92,110)(H,93,113)(H,94,114)(H,95,116)(H,96,119)(H,97,120)(H,98,112)(H,99,118)(H,100,115)(H,101,117)/t51-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50538477 (CHEMBL4633138) Show SMILES Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1 Show InChI InChI=1S/C17H27N3O3/c1-13-4-5-14(10-16(13)23-9-6-18)17(22)19-11-15(21)12-20-7-2-3-8-20/h4-5,10,15,21H,2-3,6-9,11-12,18H2,1H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and meas...				ACS Med Chem Lett 11: 514-520 (2020) Article DOI: 10.1021/acsmedchemlett.9b00629 BindingDB Entry DOI: 10.7270/Q2TT4VGG
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50212339 (CHEMBL4173093) Show SMILES COc1ccc(cc1)-c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C17H12ClNO4/c1-23-11-5-2-9(3-6-11)14-15(20)12-7-4-10(18)8-13(12)19-17(22)16(14)21/h2-8,21H,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508774 (CHEMBL4538618) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H](NC1=O)[C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C79H112N16O19S/c1-11-43(5)66-77(111)93-67(44(6)12-2)79(113)95(9)62(37-49-22-30-53(114-10)31-23-49)76(110)88-56(35-47-18-26-51(97)27-19-47)72(106)87-57(38-63(81)99)73(107)86-54(15-13-14-32-80)70(104)90-59(36-48-20-28-52(98)29-21-48)78(112)94(8)61(33-42(3)4)75(109)89-58(39-64(82)100)74(108)91-60(68(83)102)40-115-41-65(101)85-55(34-46-16-24-50(96)25-17-46)71(105)84-45(7)69(103)92-66/h16-31,42-45,54-62,66-67,96-98H,11-15,32-41,80H2,1-10H3,(H2,81,99)(H2,82,100)(H2,83,102)(H,84,105)(H,85,101)(H,86,107)(H,87,106)(H,88,110)(H,89,109)(H,90,104)(H,91,108)(H,92,103)(H,93,111)/t43-,44-,45-,54-,55+,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 1 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50212340 (CHEMBL5276951) Show SMILES Oc1c(-c2cccnc2)c(=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C15H9ClN2O3/c16-9-3-4-10-11(6-9)18-15(21)14(20)12(13(10)19)8-2-1-5-17-7-8/h1-7,19H,(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50026808 (CHEMBL2440341) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C(/C#N)C(=O)NC2CC2)cc1)C(N)=O |r| Show InChI InChI=1S/C32H48N10O5/c1-2-3-7-24(27(35)43)40-30(46)25(8-4-5-16-33)42-31(47)26(9-6-17-38-32(36)37)41-28(44)21-12-10-20(11-13-21)18-22(19-34)29(45)39-23-14-15-23/h10-13,18,23-26H,2-9,14-17,33H2,1H3,(H2,35,43)(H,39,45)(H,40,46)(H,41,44)(H,42,47)(H4,36,37,38)/b22-18+/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by addition of...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50534351 (CHEMBL4531266) Show SMILES Fc1ccc2CC(=O)[C@H](Cc2c1)C1=Cc2ccc(F)cc2CC1 |r,t:14| Show InChI InChI=1S/C20H16F2O/c21-17-5-3-12-7-15(2-1-13(12)8-17)19-10-16-9-18(22)6-4-14(16)11-20(19)23/h3-9,19H,1-2,10-11H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzy...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50538478 (CHEMBL4634219) Show SMILES COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1 Show InChI InChI=1S/C19H30N2O5/c1-25-19-8-14(9-21-10-16(23)11-21)2-3-18(19)26-13-17(24)12-20-6-4-15(22)5-7-20/h2-3,8,15-17,22-24H,4-7,9-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged West Nile virus NS2B (52 to 96 residues)-G4SG4-NS3 (1 to 184 residues) expressed in Escherichia coli BL21(DE3) c...				ACS Med Chem Lett 11: 514-520 (2020) Article DOI: 10.1021/acsmedchemlett.9b00629 BindingDB Entry DOI: 10.7270/Q2TT4VGG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 4 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50538478 (CHEMBL4634219) Show SMILES COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1 Show InChI InChI=1S/C19H30N2O5/c1-25-19-8-14(9-21-10-16(23)11-21)2-3-18(19)26-13-17(24)12-20-6-4-15(22)5-7-20/h2-3,8,15-17,22-24H,4-7,9-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and meas...				ACS Med Chem Lett 11: 514-520 (2020) Article DOI: 10.1021/acsmedchemlett.9b00629 BindingDB Entry DOI: 10.7270/Q2TT4VGG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513887 (CHEMBL4458555) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C33H65N15O9/c1-18(50)25(48-29(55)21(43-19(2)51)12-8-16-42-33(39)40)31(57)47-24(17-49)30(56)46-23(10-4-6-14-35)28(54)45-22(9-3-5-13-34)27(53)44-20(26(36)52)11-7-15-41-32(37)38/h18,20-25,49-50H,3-17,34-35H2,1-2H3,(H2,36,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H4,37,38,41)(H4,39,40,42)/t18-,20+,21+,22+,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of recombinant Dengue virus type 2 NS2B-NS3 protease expressed in Escherichia coli C41 cells using GRR-AMC as substrate after 15 mins by f...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50587014 (CHEMBL5094815) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(OCCCCS)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:5.4,38.42,wD:9.9,35.35,(27.26,-4.16,;27.27,-5.7,;25.94,-6.47,;25.94,-8.01,;24.61,-8.79,;24.62,-10.33,;23.29,-11.1,;21.95,-10.34,;21.94,-8.8,;20.62,-11.11,;20.62,-12.65,;19.29,-13.43,;19.3,-14.97,;17.97,-15.74,;17.98,-17.28,;19.28,-10.35,;17.95,-11.12,;17.96,-12.66,;16.62,-10.36,;15.28,-11.13,;15.29,-12.68,;13.95,-13.45,;12.62,-12.68,;11.28,-13.45,;9.95,-12.68,;8.62,-13.45,;7.28,-12.68,;5.95,-13.45,;4.62,-12.68,;12.62,-11.14,;13.95,-10.37,;25.95,-11.09,;25.96,-12.63,;27.28,-10.32,;28.62,-11.08,;29.95,-10.31,;31.3,-11.08,;32.62,-10.31,;32.62,-8.77,;31.29,-8,;29.95,-8.77,;33.96,-8,;35.29,-8.77,;36.63,-8,;35.29,-10.31,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant N-terminal His-tagged DENV NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-GRR-AMC as subst...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00515 BindingDB Entry DOI: 10.7270/Q21N8511
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50393505 (CHEMBL2158051) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C |r| Show InChI InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50534351 (CHEMBL4531266) Show SMILES Fc1ccc2CC(=O)[C@H](Cc2c1)C1=Cc2ccc(F)cc2CC1 |r,t:14| Show InChI InChI=1S/C20H16F2O/c21-17-5-3-12-7-15(2-1-13(12)8-17)19-10-16-9-18(22)6-4-14(16)11-20(19)23/h3-9,19H,1-2,10-11H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzy...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50026784 (CHEMBL2440339) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H42N8O4/c1-2-3-12-18(21(27)34)31-23(36)19(13-7-8-15-26)33-24(37)20(14-9-16-30-25(28)29)32-22(35)17-10-5-4-6-11-17/h4-6,10-11,18-20H,2-3,7-9,12-16,26H2,1H3,(H2,27,34)(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by addition of...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508770 (CHEMBL4454475) Show SMILES CC[C@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C78H109N15O18S/c1-11-44(3)66-74(105)82-46(5)69(100)84-55(16-13-14-34-79)70(101)85-56(36-47-18-26-51(94)27-19-47)71(102)86-58(40-63(80)96)76(107)92(8)62(39-50-24-32-54(111-10)33-25-50)77(108)91(7)61(38-49-22-30-53(110-9)31-23-49)73(104)89-67(45(4)12-2)78(109)93-35-15-17-60(93)72(103)87-59(68(81)99)42-112-43-65(98)83-57(37-48-20-28-52(95)29-21-48)75(106)90(6)41-64(97)88-66/h18-33,44-46,55-62,66-67,94-95H,11-17,34-43,79H2,1-10H3,(H2,80,96)(H2,81,99)(H,82,105)(H,83,98)(H,84,100)(H,85,101)(H,86,102)(H,87,103)(H,88,97)(H,89,104)/t44-,45-,46-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50359734 (CHEMBL1927522) Show SMILES O=C(NC1CC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N Show InChI InChI=1S/C15H17N3O3/c16-10-11(15(19)17-12-1-2-12)9-13-3-4-14(21-13)18-5-7-20-8-6-18/h3-4,9,12H,1-2,5-8H2,(H,17,19)/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-VPR-AMC as substrate compound preincubated for 15 mins before substrate addition measured up to 10 mins by spe...				Bioorg Med Chem 19: 7318-37 (2011) Article DOI: 10.1016/j.bmc.2011.10.061 BindingDB Entry DOI: 10.7270/Q2474B8H
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus 3 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50538477 (CHEMBL4633138) Show SMILES Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1 Show InChI InChI=1S/C17H27N3O3/c1-13-4-5-14(10-16(13)23-9-6-18)17(22)19-11-15(21)12-20-7-2-3-8-20/h4-5,10,15,21H,2-3,6-9,11-12,18H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged West Nile virus NS2B (52 to 96 residues)-G4SG4-NS3 (1 to 184 residues) expressed in Escherichia coli BL21(DE3) c...				ACS Med Chem Lett 11: 514-520 (2020) Article DOI: 10.1021/acsmedchemlett.9b00629 BindingDB Entry DOI: 10.7270/Q2TT4VGG
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus serotype 2 NS2B-NS3 protease by homogeneous fluorimetric assay				ACS Med Chem Lett 5: 1037-42 (2014) Article DOI: 10.1021/ml500245v BindingDB Entry DOI: 10.7270/Q2028T42
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50567201 (CHEMBL4875501) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of SARS CoV-2 main protease using varying concentrations of DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate by Dixon plot anal...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128333 BindingDB Entry DOI: 10.7270/Q29W0K7J
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	9.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50026808 (CHEMBL2440341) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C(/C#N)C(=O)NC2CC2)cc1)C(N)=O |r| Show InChI InChI=1S/C32H48N10O5/c1-2-3-7-24(27(35)43)40-30(46)25(8-4-5-16-33)42-31(47)26(9-6-17-38-32(36)37)41-28(44)21-12-10-20(11-13-21)18-22(19-34)29(45)39-23-14-15-23/h10-13,18,23-26H,2-9,14-17,33H2,1H3,(H2,35,43)(H,39,45)(H,40,46)(H,41,44)(H,42,47)(H4,36,37,38)/b22-18+/t24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50508773 (CHEMBL4589938) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C73H94N16O17S/c1-40(2)28-54-73(106)89-27-15-22-57(89)69(102)81-51(30-44-18-11-7-12-19-44)64(97)80-53(33-47-35-76-39-77-47)67(100)83-55(34-58(74)93)72(105)88(5)36-59(94)86-61(41(3)90)70(103)82-52(31-45-20-13-8-14-21-45)65(98)79-50(29-43-16-9-6-10-17-43)66(99)85-56(63(75)96)37-107-38-60(95)78-49(32-46-23-25-48(92)26-24-46)68(101)87-62(42(4)91)71(104)84-54/h6-14,16-21,23-26,35,39-42,49-57,61-62,90-92H,15,22,27-34,36-38H2,1-5H3,(H2,74,93)(H2,75,96)(H,76,77)(H,78,95)(H,79,98)(H,80,97)(H,81,102)(H,82,103)(H,83,100)(H,84,104)(H,85,99)(H,86,94)(H,87,101)/t41-,42-,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+,62+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...				ACS Med Chem Lett 10: 168-174 (2019) Article DOI: 10.1021/acsmedchemlett.8b00535 BindingDB Entry DOI: 10.7270/Q2N019TC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM4355 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...) Show SMILES NC(=O)C(=C\c1ccc(O)cc1)\C#N Show InChI InChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-VPR-AMC as substrate compound preincubated for 15 mins before substrate addition measured up to 10 mins by spe...				Bioorg Med Chem 19: 7318-37 (2011) Article DOI: 10.1016/j.bmc.2011.10.061 BindingDB Entry DOI: 10.7270/Q2474B8H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50359735 (CHEMBL1927348) Show SMILES CC(C)c1ccc(\C=C(/C#N)C(=O)NCC2CCCO2)cc1 Show InChI InChI=1S/C18H22N2O2/c1-13(2)15-7-5-14(6-8-15)10-16(11-19)18(21)20-12-17-4-3-9-22-17/h5-8,10,13,17H,3-4,9,12H2,1-2H3,(H,20,21)/b16-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-VPR-AMC as substrate compound preincubated for 15 mins before substrate addition measured up to 10 mins by spe...				Bioorg Med Chem 19: 7318-37 (2011) Article DOI: 10.1016/j.bmc.2011.10.061 BindingDB Entry DOI: 10.7270/Q2474B8H
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50030459 (CHEMBL3344321) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:34.38,9.9,wD:31.31,5.4,(16.97,-13.05,;16.9,-11.52,;15.54,-10.81,;15.47,-9.27,;14.11,-8.56,;14.04,-7.02,;12.68,-6.3,;11.38,-7.13,;11.44,-8.67,;10.01,-6.42,;9.94,-4.88,;11.24,-4.05,;11.18,-2.52,;12.48,-1.69,;12.42,-.15,;8.71,-7.24,;7.38,-6.48,;7.37,-4.94,;6.05,-7.25,;4.72,-6.48,;4.71,-4.94,;3.38,-4.17,;2.05,-4.94,;.72,-4.17,;2.05,-6.48,;.72,-7.25,;3.38,-7.25,;15.34,-6.19,;15.28,-4.65,;16.7,-6.9,;18.02,-6.09,;19.38,-6.82,;19.42,-8.36,;20.78,-9.09,;22.1,-8.27,;22.05,-6.73,;20.68,-6,;23.46,-9,;24.77,-8.18,;24.72,-6.65,;26.13,-8.91,)| Show InChI InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50212341 (CHEMBL5287718) Show SMILES Oc1c(-c2ccccc2)c(=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-16(21)15(20)13(14(11)19)9-4-2-1-3-5-9/h1-8,19H,(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50030459 (CHEMBL3344321) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:34.38,9.9,wD:31.31,5.4,(16.97,-13.05,;16.9,-11.52,;15.54,-10.81,;15.47,-9.27,;14.11,-8.56,;14.04,-7.02,;12.68,-6.3,;11.38,-7.13,;11.44,-8.67,;10.01,-6.42,;9.94,-4.88,;11.24,-4.05,;11.18,-2.52,;12.48,-1.69,;12.42,-.15,;8.71,-7.24,;7.38,-6.48,;7.37,-4.94,;6.05,-7.25,;4.72,-6.48,;4.71,-4.94,;3.38,-4.17,;2.05,-4.94,;.72,-4.17,;2.05,-6.48,;.72,-7.25,;3.38,-7.25,;15.34,-6.19,;15.28,-4.65,;16.7,-6.9,;18.02,-6.09,;19.38,-6.82,;19.42,-8.36,;20.78,-9.09,;22.1,-8.27,;22.05,-6.73,;20.68,-6,;23.46,-9,;24.77,-8.18,;24.72,-6.65,;26.13,-8.91,)| Show InChI InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Prague Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans				Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128629 BindingDB Entry DOI: 10.7270/Q2S186JS
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus)	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting an...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653 BindingDB Entry DOI: 10.7270/Q2FX7F00
					More data for this Ligand-Target Pair

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