Compile Data Set for Download or QSAR

Found 280 hits of ic50 for UniProtKB: P06935   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (West Nile virus)	BDBM50513893 (CHEMBL506092) Show SMILES NCCCC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C32H48N8O4/c33-18-6-4-12-27(39-29(42)21-23-14-16-25(17-15-23)24-9-2-1-3-10-24)31(44)40-28(13-5-7-19-34)30(43)38-26(22-41)11-8-20-37-32(35)36/h1-3,9-10,14-17,22,26-28H,4-8,11-13,18-21,33-34H2,(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of West Nile virus protease				Bioorg Med Chem 27: 3963-3978 (2019) Article DOI: 10.1016/j.bmc.2019.07.038 BindingDB Entry DOI: 10.7270/Q2DN48CN
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM35491 (Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N Show InChI InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM35491 (Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N Show InChI InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM35491 (Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N Show InChI InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	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
Genome polyprotein (West Nile virus)	BDBM35509 (2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM35509 (2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	CHEMBL5275144 Show SMILES Oc1c(-c2cccs2)c(=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C14H8ClNO3S/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 CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	120	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 (West Nile virus)	BDBM50567466 (CHEMBL4862682) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567466 (CHEMBL4862682) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	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
Genome polyprotein (West Nile virus)	BDBM39394 (2-bromobenzoic acid [5-amino-1-(4-methoxyphenyl)su...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2Br)cc1N Show InChI InChI=1S/C17H14BrN3O5S/c1-25-11-6-8-12(9-7-11)27(23,24)21-15(19)10-16(20-21)26-17(22)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50302021 (5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)cccc2F)cc1N Show InChI InChI=1S/C17H13F2N3O5S/c1-26-10-5-7-11(8-6-10)28(24,25)22-14(20)9-15(21-22)27-17(23)16-12(18)3-2-4-13(16)19/h2-9H,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50030457 (CHEMBL3344314) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)C1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C22H42N8O5/c23-11-3-1-6-15(28-18(31)14-9-10-14)19(32)29-16(7-2-4-12-24)20(33)30-17(21(34)35)8-5-13-27-22(25)26/h14-17H,1-13,23-24H2,(H,28,31)(H,29,32)(H,30,33)(H,34,35)(H4,25,26,27)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50030458 (CHEMBL3344313) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C25H42N8O5/c26-14-6-4-11-18(31-21(34)17-9-2-1-3-10-17)22(35)32-19(12-5-7-15-27)23(36)33-20(24(37)38)13-8-16-30-25(28)29/h1-3,9-10,18-20H,4-8,11-16,26-27H2,(H,31,34)(H,32,35)(H,33,36)(H,37,38)(H4,28,29,30)/t18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	CHEMBL5269219 Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)CCCCC[C@H](OC2=O)C(C)CCCCC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C Show InChI InChI=1S/C60H99N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h18,22-23,31,34-37,39-41,43,45-54,64,67-71H,11-17,19-21,24-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/t35-,36?,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	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 (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	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged WNV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) using...				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)	BDBM50567470 (CHEMBL4862353) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM32761 (2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N Show InChI InChI=1S/C15H13N3O6S/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)24-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	553	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50108877 ((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	700	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
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	n/a	n/a	750	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)	BDBM50567467 (CHEMBL4850391) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					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
Genome polyprotein (West Nile virus)	BDBM50567473 (CHEMBL4872757) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567469 (CHEMBL4856850) Show SMILES CNCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567468 (CHEMBL4853830) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2[nH]ccc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50302022 (5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)ccc(F)c2F)cc1N Show InChI InChI=1S/C17H12F3N3O5S/c1-27-9-2-4-10(5-3-9)29(25,26)23-13(21)8-14(22-23)28-17(24)15-11(18)6-7-12(19)16(15)20/h2-8H,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109050 (CHEMBL3601349) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CC3CCCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H49N9O6S/c38-19-7-6-13-27(34(50)45-30(31(39)47)25-11-2-1-3-12-25)44-33(49)28(14-8-20-42-36(40)41)43-32(48)26-17-15-23(16-18-26)21-29-35(51)46(37(52)53-29)22-24-9-4-5-10-24/h1-3,11-12,15-18,21,24,27-28,30H,4-10,13-14,19-20,22,38H2,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H4,40,41,42)/b29-21-/t27-,28-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	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)	BDBM50109046 (CHEMBL3601345) Show SMILES CCC(CC)N1C(=O)S\C(=C/c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C36H49N9O6S/c1-3-25(4-2)45-34(50)28(52-36(45)51)21-22-15-17-24(18-16-22)31(47)42-27(14-10-20-41-35(39)40)32(48)43-26(13-8-9-19-37)33(49)44-29(30(38)46)23-11-6-5-7-12-23/h5-7,11-12,15-18,21,25-27,29H,3-4,8-10,13-14,19-20,37H2,1-2H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H4,39,40,41)/b28-21-/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	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)	BDBM50109139 (CHEMBL3601352) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CCC3CCCCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C39H53N9O6S/c40-21-8-7-14-29(36(52)47-32(33(41)49)27-12-5-2-6-13-27)46-35(51)30(15-9-22-44-38(42)43)45-34(50)28-18-16-26(17-19-28)24-31-37(53)48(39(54)55-31)23-20-25-10-3-1-4-11-25/h2,5-6,12-13,16-19,24-25,29-30,32H,1,3-4,7-11,14-15,20-23,40H2,(H2,41,49)(H,45,50)(H,46,51)(H,47,52)(H4,42,43,44)/b31-24-/t29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	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)	BDBM32783 (2-thiophenecarboxylic acid [5-amino-1-(4-fluorophe...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H10FN3O4S2/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)22-14(19)11-2-1-7-23-11/h1-8H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50542823 (CHEMBL4633312) Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 |r| Show InChI InChI=1S/C37H33Cl2N5O3.C2HF3O2/c38-32-7-4-8-33(39)31(32)23-47-30-19-15-28(16-20-30)35(36(46)42-22-25-11-17-29(18-12-25)43-37(40)41)44-34(45)21-24-9-13-27(14-10-24)26-5-2-1-3-6-26;3-2(4,5)1(6)7/h1-20,35H,21-23H2,(H,42,46)(H,44,45)(H4,40,41,43);(H,6,7)/t35-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+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 expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as...				J Med Chem 63: 8179-8197 (2020) Article DOI: 10.1021/acs.jmedchem.0c00413 BindingDB Entry DOI: 10.7270/Q26H4N01
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50241035 (1-[(1R,2R,4S,5S)-5-carbamimidamido-2,4-bis(2,4-dic...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](\[#7])-[#7] |r| Show InChI InChI=1S/C24H38N18O2/c25-19(26)37-9-1-3-15(11(5-9)39-21(29)30)43-17-8-18(14(42-24(35)36)7-13(17)41-23(33)34)44-16-4-2-10(38-20(27)28)6-12(16)40-22(31)32/h1-6,13-14,17-18H,7-8H2,(H4,25,26,37)(H4,27,28,38)(H4,29,30,39)(H4,31,32,40)(H4,33,34,41)(H4,35,36,42)/t13-,14+,17-,18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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
Genome polyprotein (West Nile virus)	BDBM50302023 (5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2sccc2Cl)cc1N Show InChI InChI=1S/C15H12ClN3O5S2/c1-23-9-2-4-10(5-3-9)26(21,22)19-12(17)8-13(18-19)24-15(20)14-11(16)6-7-25-14/h2-8H,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM39396 (2-bromobenzoic acid (5-amino-1-besyl-pyrazol-3-yl)...) Show SMILES Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H12BrN3O4S/c17-13-9-5-4-8-12(13)16(21)24-15-10-14(18)20(19-15)25(22,23)11-6-2-1-3-7-11/h1-10H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109142 (CHEMBL3601354) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CC34CC5CC(CC(C5)C3)C4)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r,TLB:40:31:38:34.35.36,THB:36:35:32:38.37.39,36:37:34.35.40:32,40:35:38:31.32.39,30:31:38:34.35.36| Show InChI InChI=1S/C42H55N9O6S/c43-15-5-4-9-31(38(55)50-34(35(44)52)29-7-2-1-3-8-29)49-37(54)32(10-6-16-47-40(45)46)48-36(53)30-13-11-25(12-14-30)20-33-39(56)51(41(57)58-33)24-42-21-26-17-27(22-42)19-28(18-26)23-42/h1-3,7-8,11-14,20,26-28,31-32,34H,4-6,9-10,15-19,21-24,43H2,(H2,44,52)(H,48,53)(H,49,54)(H,50,55)(H4,45,46,47)/b33-20-/t26?,27?,28?,31-,32-,34-,42?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	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)	BDBM50567471 (CHEMBL4876865) Show SMILES NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG 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
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567472 (CHEMBL4848934) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109047 (CHEMBL3601346) Show SMILES CCC(CC)CN1C(=O)S\C(=C/c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C37H51N9O6S/c1-3-23(4-2)22-46-35(51)29(53-37(46)52)21-24-15-17-26(18-16-24)32(48)43-28(14-10-20-42-36(40)41)33(49)44-27(13-8-9-19-38)34(50)45-30(31(39)47)25-11-6-5-7-12-25/h5-7,11-12,15-18,21,23,27-28,30H,3-4,8-10,13-14,19-20,22,38H2,1-2H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H4,40,41,42)/b29-21-/t27-,28-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	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)	BDBM32778 (MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...) Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1 Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM32778 (MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...) Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1 Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109049 (CHEMBL3601348) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(CC3CCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C36H47N9O6S/c37-18-5-4-12-26(33(49)44-29(30(38)46)24-10-2-1-3-11-24)43-32(48)27(13-7-19-41-35(39)40)42-31(47)25-16-14-22(15-17-25)20-28-34(50)45(36(51)52-28)21-23-8-6-9-23/h1-3,10-11,14-17,20,23,26-27,29H,4-9,12-13,18-19,21,37H2,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H4,39,40,41)/b28-20-/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+3	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)	BDBM50127623 (CHEMBL3628260) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N6O4/c32-18-8-7-13-25(30(40)37-27(28(34)38)23-9-3-1-4-10-23)35-31(41)26(19-21-14-16-22(20-33)17-15-21)36-29(39)24-11-5-2-6-12-24/h1-6,9-12,14-17,25-27H,7-8,13,18-20,32-33H2,(H2,34,38)(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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...				J Med Chem 58: 7719-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00612 BindingDB Entry DOI: 10.7270/Q2SB47K7
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM32756 (2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)...) Show SMILES Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50109048 (CHEMBL3601347) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(C3CCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H45N9O6S/c36-18-5-4-12-25(32(48)43-28(29(37)45)22-8-2-1-3-9-22)42-31(47)26(13-7-19-40-34(38)39)41-30(46)23-16-14-21(15-17-23)20-27-33(49)44(35(50)51-27)24-10-6-11-24/h1-3,8-9,14-17,20,24-26,28H,4-7,10-13,18-19,36H2,(H2,37,45)(H,41,46)(H,42,47)(H,43,48)(H4,38,39,40)/b27-20-/t25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	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)	BDBM50109112 (CHEMBL3601350) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(C3CCCCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H49N9O6S/c38-20-8-7-14-27(34(50)45-30(31(39)47)24-10-3-1-4-11-24)44-33(49)28(15-9-21-42-36(40)41)43-32(48)25-18-16-23(17-19-25)22-29-35(51)46(37(52)53-29)26-12-5-2-6-13-26/h1,3-4,10-11,16-19,22,26-28,30H,2,5-9,12-15,20-21,38H2,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H4,40,41,42)/b29-22-/t27-,28-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+3	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)	BDBM50109265 (CHEMBL3601102) Show SMILES CC(C)CCN1C(=O)S\C(=C/c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C36H49N9O6S/c1-22(2)17-20-45-34(50)28(52-36(45)51)21-23-13-15-25(16-14-23)31(47)42-27(12-8-19-41-35(39)40)32(48)43-26(11-6-7-18-37)33(49)44-29(30(38)46)24-9-4-3-5-10-24/h3-5,9-10,13-16,21-22,26-27,29H,6-8,11-12,17-20,37H2,1-2H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H4,39,40,41)/b28-21-/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	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)	BDBM50542820 (CHEMBL4640021) Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C37H35N5O3.C2HF3O2/c38-37(39)41-32-19-13-27(14-20-32)24-40-36(44)35(31-17-21-33(22-18-31)45-25-28-7-3-1-4-8-28)42-34(43)23-26-11-15-30(16-12-26)29-9-5-2-6-10-29;3-2(4,5)1(6)7/h1-22,35H,23-25H2,(H,40,44)(H,42,43)(H4,38,39,41);(H,6,7)/t35-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as...				J Med Chem 63: 8179-8197 (2020) Article DOI: 10.1021/acs.jmedchem.0c00413 BindingDB Entry DOI: 10.7270/Q26H4N01
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567458 (CHEMBL4869904) Show SMILES Ic1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(I)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50302024 (5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)cc(F)cc2F)cc1N Show InChI InChI=1S/C17H12F3N3O5S/c1-27-10-2-4-11(5-3-10)29(25,26)23-14(21)8-15(22-23)28-17(24)16-12(19)6-9(18)7-13(16)20/h2-8H,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease by fluorescence assay				Bioorg Med Chem Lett 19: 5773-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.150 BindingDB Entry DOI: 10.7270/Q2DZ08DP
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50542238 (CHEMBL4640778) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H32N4O3/c1-17(27-2)24(31)28-21-15-13-20-14-16-22(30(20)26(21)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of West Nile 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)	BDBM50109267 (CHEMBL3601104) Show SMILES CC(C)(C)CCN1C(=O)S\C(=C/c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C37H51N9O6S/c1-37(2,3)18-21-46-34(51)28(53-36(46)52)22-23-14-16-25(17-15-23)31(48)43-27(13-9-20-42-35(40)41)32(49)44-26(12-7-8-19-38)33(50)45-29(30(39)47)24-10-5-4-6-11-24/h4-6,10-11,14-17,22,26-27,29H,7-9,12-13,18-21,38H2,1-3H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H4,40,41,42)/b28-22-/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	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

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