Compile Data Set for Download or QSAR

Found 341 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 3'   

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)	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 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
Nonstructural protein 3 (Zika virus)	BDBM50513992 (CHEMBL3919119) Show SMILES NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1 |r| Show InChI InChI=1S/C22H31BN6O4/c24-14-16-10-8-15(9-11-16)13-18(28-20(30)17-5-2-1-3-6-17)21(31)29-19(23(32)33)7-4-12-27-22(25)26/h1-3,5-6,8-11,18-19,32-33H,4,7,12-14,24H2,(H,28,30)(H,29,31)(H4,25,26,27)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli BL21...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					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
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
Nonstructural protein 3 (Zika virus)	BDBM50513889 (CHEMBL4586476) Show SMILES NC(=N)NCCC[C@H](NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C36H58N18O4/c37-29(38)24-13-11-23(12-14-24)19-50-30(56)25(4-1-15-47-33(39)40)53-32(58)27(6-3-17-49-35(43)44)54-31(57)26(5-2-16-48-34(41)42)52-28(55)18-21-7-9-22(10-8-21)20-51-36(45)46/h7-14,25-27H,1-6,15-20H2,(H3,37,38)(H,50,56)(H,52,55)(H,53,58)(H,54,57)(H4,39,40,47)(H4,41,42,48)(H4,43,44,49)(H4,45,46,51)/t25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Zika virus unlinked NS2B-NS3 protease preincubated for 5 mins followed by benzoyl-nKRR-AMC addition and measured every 60 secs for 12 m...				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
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
Nonstructural protein 3 (Zika virus)	BDBM50513897 (CHEMBL4541542) Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCC(N)=O |r| Show InChI InChI=1S/C30H51N11O6/c31-14-6-4-11-22(39-25(43)17-20-9-2-1-3-10-20)28(46)41-23(12-5-7-15-32)29(47)40-21(13-8-16-36-30(34)35)27(45)38-19-26(44)37-18-24(33)42/h1-3,9-10,21-23H,4-8,11-19,31-32H2,(H2,33,42)(H,37,44)(H,38,45)(H,39,43)(H,40,47)(H,41,46)(H4,34,35,36)/t21-,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Zika virus unlinked NS2B-NS3 protease preincubated for 5 mins followed by benzoyl-nKRR-AMC addition and measured every 60 secs for 12 m...				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
Nonstructural protein 3 (Zika virus)	BDBM50513896 (CHEMBL4436979) Show SMILES NCCCC[C@H](NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C28H50N12O4/c29-13-3-1-6-21(38-23(41)16-18-9-11-19(12-10-18)17-37-28(34)35)25(43)40-22(7-2-4-14-30)26(44)39-20(24(31)42)8-5-15-36-27(32)33/h9-12,20-22H,1-8,13-17,29-30H2,(H2,31,42)(H,38,41)(H,39,44)(H,40,43)(H4,32,33,36)(H4,34,35,37)/t20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Zika virus unlinked NS2B-NS3 protease preincubated for 5 mins followed by benzoyl-nKRR-AMC addition and measured every 60 secs for 12 m...				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
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)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubat...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					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
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
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
Nonstructural protein 3 (Zika virus)	BDBM50528559 (CHEMBL4434998) Show SMILES COc1ccc(Cl)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc12 Show InChI InChI=1S/C22H18ClN3O4S2/c1-13-7-9-14(10-8-13)32(28,29)26-17-6-4-3-5-15(17)21(27)25-22-24-19-18(30-2)12-11-16(23)20(19)31-22/h3-12,26H,1-2H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Zika virus NS2B (46 to 99 residues) - NS3 (1 to 187 residues) protease domain expressed in Rosetta2-(DE3) assesse...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007 BindingDB Entry DOI: 10.7270/Q25D8W94
					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
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
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
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
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
Nonstructural protein 3 (Zika virus)	BDBM50513999 (CHEMBL4435769) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2)-c2ccccc2Cl)cc1N Show InChI InChI=1S/C23H18ClN3O5S/c1-31-17-9-11-18(12-10-17)33(29,30)27-21(25)14-22(26-27)32-23(28)16-6-4-5-15(13-16)19-7-2-3-8-20(19)24/h2-14H,25H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli BL21...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM26218 ((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	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)	BDBM50513999 (CHEMBL4435769) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2)-c2ccccc2Cl)cc1N Show InChI InChI=1S/C23H18ClN3O5S/c1-31-17-9-11-18(12-10-17)33(29,30)27-21(25)14-22(26-27)32-23(28)16-6-4-5-15(13-16)19-7-2-3-8-20(19)24/h2-14H,25H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007 BindingDB Entry DOI: 10.7270/Q25D8W94
					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	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged ZIKV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) prei...				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)	BDBM50567473 (CHEMBL4872757) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567516 (CHEMBL4865964) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567535 (CHEMBL4861948) Show SMILES CC(Oc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					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	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged unlinked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AM...				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)	BDBM50513992 (CHEMBL3919119) Show SMILES NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1 |r| Show InChI InChI=1S/C22H31BN6O4/c24-14-16-10-8-15(9-11-16)13-18(28-20(30)17-5-2-1-3-6-17)21(31)29-19(23(32)33)7-4-12-27-22(25)26/h1-3,5-6,8-11,18-19,32-33H,4,7,12-14,24H2,(H,28,30)(H,29,31)(H4,25,26,27)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli BL21...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50513899 (CHEMBL4542342) Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Zika virus IbH_30656 NS2B (45 to 96 residues)-NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21/Rosetta (DE3) cells p...				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
Nonstructural protein 3 (Zika virus)	BDBM50542237 (Cudc 427 | Cudc-427 | Gdc-0917) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1-c1ccccc1)-c1ncco1 Show InChI InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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)	BDBM50567493 (CHEMBL4872312) Show SMILES NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50509482 (CHEMBL4462325) Show SMILES Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2cc1O |r| Show InChI InChI=1S/C18H16N4O7S2/c23-14-8-12-16(9-15(14)24)30-18(19-12)20-17(25)13-2-1-7-21(13)31(28,29)11-5-3-10(4-6-11)22(26)27/h3-6,8-9,13,23-24H,1-2,7H2,(H,19,20,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using fluorogenic AMC-subst...				J Med Chem 62: 11359-11382 (2019) Article DOI: 10.1021/acs.jmedchem.9b01697 BindingDB Entry DOI: 10.7270/Q2F47SDK
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50579310 (CHEMBL4862793) Show SMILES O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Ly...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113767 BindingDB Entry DOI: 10.7270/Q25M69JJ
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50579311 (CHEMBL4865004) Show SMILES O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccoc3)c(cc12)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Ly...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113767 BindingDB Entry DOI: 10.7270/Q25M69JJ
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50514003 (CHEMBL4437334) Show SMILES [O-][N+](=O)c1ccc(N\N=C2\C=CC(=O)C(=C2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1 |c:10,14| Show InChI InChI=1S/C19H12Cl2N4O4/c20-11-2-1-3-12(8-11)22-19(27)15-9-13(4-7-18(15)26)23-24-17-6-5-14(25(28)29)10-16(17)21/h1-10,24H,(H,22,27)/b23-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 185 residues) protease domain expressed in Escherichia coli Bl21(...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007 BindingDB Entry DOI: 10.7270/Q25D8W94
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567484 (CHEMBL4861102) Show SMILES CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN(C)C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50579273 (CHEMBL4858884) Show SMILES O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Ly...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113767 BindingDB Entry DOI: 10.7270/Q25M69JJ
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567470 (CHEMBL4862353) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50579316 (CHEMBL4852919) Show SMILES O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccc(CN2CCCCC2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Ly...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113767 BindingDB Entry DOI: 10.7270/Q25M69JJ
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50509464 (CHEMBL4453301) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r| Show InChI InChI=1S/C20H21N3O5S2/c1-12-5-7-13(8-6-12)30(27,28)23-9-3-2-4-15(23)19(26)22-20-21-14-10-16(24)17(25)11-18(14)29-20/h5-8,10-11,15,24-25H,2-4,9H2,1H3,(H,21,22,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using fluorogenic AMC-subst...				J Med Chem 62: 11359-11382 (2019) Article DOI: 10.1021/acs.jmedchem.9b01697 BindingDB Entry DOI: 10.7270/Q2F47SDK
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567477 (CHEMBL4852716) Show SMILES OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567474 (CHEMBL4867031) Show SMILES Ic1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(I)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50528558 (CHEMBL4448497) Show SMILES Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H23N5/c1-32-24-10-8-18(16-4-2-6-20(12-16)26(28)29)14-22(24)23-15-19(9-11-25(23)32)17-5-3-7-21(13-17)27(30)31/h2-15H,1H3,(H3,28,29)(H3,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal unlinked Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007 BindingDB Entry DOI: 10.7270/Q25D8W94
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50509465 (CHEMBL4515653) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r| Show InChI InChI=1S/C20H21N3O5S2/c1-12-5-7-13(8-6-12)30(27,28)23-9-3-2-4-15(23)19(26)22-20-21-14-10-16(24)17(25)11-18(14)29-20/h5-8,10-11,15,24-25H,2-4,9H2,1H3,(H,21,22,26)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using fluorogenic AMC-subst...				J Med Chem 62: 11359-11382 (2019) Article DOI: 10.1021/acs.jmedchem.9b01697 BindingDB Entry DOI: 10.7270/Q2F47SDK
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567550 (CHEMBL4849574) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50579317 (CHEMBL4868723) Show SMILES O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Ly...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113767 BindingDB Entry DOI: 10.7270/Q25M69JJ
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567480 (CHEMBL4862454) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					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	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC ...				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

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