Compile Data Set for Download or QSAR

Found 112 hits of ki for UniProtKB: P29990   

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 (Dengue virus 2)	BDBM50175864 (Bz-Nle-Lys-Arg-Arg-B(OH)2 | CHEMBL199845) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#5](-[#8])-[#8] Show InChI InChI=1S/C31H54BN11O7/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-33)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(44)32(49)50)15-9-18-38-30(34)35/h4-6,11-12,21-24,49-50H,2-3,7-10,13-19,33H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against CF40.NS3pro from Dengue virus type 2				Bioorg Med Chem Lett 16: 36-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.062 BindingDB Entry DOI: 10.7270/Q2639P97
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513886 (CHEMBL4469970) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H85N25O9S/c1-30(83)75-38(14-6-18-68-54(59)60)47(85)76-39(15-7-19-69-55(61)62)48(86)77-40(16-8-20-70-56(63)64)49(87)78-41(17-9-21-71-57(65)66)50(88)81-44(24-33-27-67-29-74-33)52(90)80-43(23-32-26-73-37-13-5-3-11-35(32)37)51(89)82-45(28-92)53(91)79-42(46(58)84)22-31-25-72-36-12-4-2-10-34(31)36/h2-5,10-13,25-27,29,38-45,72-73,92H,6-9,14-24,28H2,1H3,(H2,58,84)(H,67,74)(H,75,83)(H,76,85)(H,77,86)(H,78,87)(H,79,91)(H,80,90)(H,81,88)(H,82,89)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	300	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 Dengue virus serotype 2 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513888 (CHEMBL4439735) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C57H88N26O11S/c1-29(2)21-42(51(90)82-44(27-95)53(92)79-41(45(59)84)22-30-25-73-36-16-15-32(83(93)94)24-34(30)36)80-52(91)43(23-31-26-68-28-74-31)81-50(89)40(14-8-20-72-57(66)67)78-49(88)39(13-7-19-71-56(64)65)77-48(87)38(12-6-18-70-55(62)63)76-47(86)37(11-5-17-69-54(60)61)75-46(85)33-9-3-4-10-35(33)58/h3-4,9-10,15-16,24-26,28-29,37-44,73,95H,5-8,11-14,17-23,27,58H2,1-2H3,(H2,59,84)(H,68,74)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,92)(H,80,91)(H,81,89)(H,82,90)(H4,60,61,69)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	300	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 Dengue virus serotype 1 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513891 (CHEMBL4435875) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C50H84N24O8S/c1-26(2)19-36(44(80)74-38(24-83)46(82)71-35(39(52)75)20-27-22-66-31-11-4-3-9-29(27)31)72-45(81)37(21-28-23-61-25-67-28)73-43(79)34(14-8-18-65-50(59)60)70-42(78)33(13-7-17-64-49(57)58)69-41(77)32(12-6-16-63-48(55)56)68-40(76)30(51)10-5-15-62-47(53)54/h3-4,9,11,22-23,25-26,30,32-38,66,83H,5-8,10,12-21,24,51H2,1-2H3,(H2,52,75)(H,61,67)(H,68,76)(H,69,77)(H,70,78)(H,71,82)(H,72,81)(H,73,79)(H,74,80)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)/t30-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	300	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 Dengue virus serotype 1 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513890 (CHEMBL4518710) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C55H83N25O8S/c56-34(11-5-17-67-52(58)59)45(82)74-37(14-6-18-68-53(60)61)46(83)75-38(15-7-19-69-54(62)63)47(84)76-39(16-8-20-70-55(64)65)48(85)79-42(23-31-26-66-28-73-31)50(87)78-41(22-30-25-72-36-13-4-2-10-33(30)36)49(86)80-43(27-89)51(88)77-40(44(57)81)21-29-24-71-35-12-3-1-9-32(29)35/h1-4,9-10,12-13,24-26,28,34,37-43,71-72,89H,5-8,11,14-23,27,56H2,(H2,57,81)(H,66,73)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,87)(H,79,85)(H,80,86)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)/t34-,37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	300	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 Dengue virus serotype 2 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513886 (CHEMBL4469970) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H85N25O9S/c1-30(83)75-38(14-6-18-68-54(59)60)47(85)76-39(15-7-19-69-55(61)62)48(86)77-40(16-8-20-70-56(63)64)49(87)78-41(17-9-21-71-57(65)66)50(88)81-44(24-33-27-67-29-74-33)52(90)80-43(23-32-26-73-37-13-5-3-11-35(32)37)51(89)82-45(28-92)53(91)79-42(46(58)84)22-31-25-72-36-12-4-2-10-34(31)36/h2-5,10-13,25-27,29,38-45,72-73,92H,6-9,14-24,28H2,1H3,(H2,58,84)(H,67,74)(H,75,83)(H,76,85)(H,77,86)(H,78,87)(H,79,91)(H,80,90)(H,81,88)(H,82,89)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	400	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 Dengue virus serotype 1 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513890 (CHEMBL4518710) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C55H83N25O8S/c56-34(11-5-17-67-52(58)59)45(82)74-37(14-6-18-68-53(60)61)46(83)75-38(15-7-19-69-54(62)63)47(84)76-39(16-8-20-70-55(64)65)48(85)79-42(23-31-26-66-28-73-31)50(87)78-41(22-30-25-72-36-13-4-2-10-33(30)36)49(86)80-43(27-89)51(88)77-40(44(57)81)21-29-24-71-35-12-3-1-9-32(29)35/h1-4,9-10,12-13,24-26,28,34,37-43,71-72,89H,5-8,11,14-23,27,56H2,(H2,57,81)(H,66,73)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,87)(H,79,85)(H,80,86)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)/t34-,37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	400	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 Dengue virus serotype 1 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513891 (CHEMBL4435875) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C50H84N24O8S/c1-26(2)19-36(44(80)74-38(24-83)46(82)71-35(39(52)75)20-27-22-66-31-11-4-3-9-29(27)31)72-45(81)37(21-28-23-61-25-67-28)73-43(79)34(14-8-18-65-50(59)60)70-42(78)33(13-7-17-64-49(57)58)69-41(77)32(12-6-16-63-48(55)56)68-40(76)30(51)10-5-15-62-47(53)54/h3-4,9,11,22-23,25-26,30,32-38,66,83H,5-8,10,12-21,24,51H2,1-2H3,(H2,52,75)(H,61,67)(H,68,76)(H,69,77)(H,70,78)(H,71,82)(H,72,81)(H,73,79)(H,74,80)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)/t30-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	400	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 Dengue virus serotype 2 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	460	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 serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Ty...				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 (Dengue virus 2)	BDBM50513888 (CHEMBL4439735) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C57H88N26O11S/c1-29(2)21-42(51(90)82-44(27-95)53(92)79-41(45(59)84)22-30-25-73-36-16-15-32(83(93)94)24-34(30)36)80-52(91)43(23-31-26-68-28-74-31)81-50(89)40(14-8-20-72-57(66)67)78-49(88)39(13-7-19-71-56(64)65)77-48(87)38(12-6-18-70-55(62)63)76-47(86)37(11-5-17-69-54(60)61)75-46(85)33-9-3-4-10-35(33)58/h3-4,9-10,15-16,24-26,28-29,37-44,73,95H,5-8,11-14,17-23,27,58H2,1-2H3,(H2,59,84)(H,68,74)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,92)(H,80,91)(H,81,89)(H,82,90)(H4,60,61,69)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	500	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 Dengue virus serotype 3 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513890 (CHEMBL4518710) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C55H83N25O8S/c56-34(11-5-17-67-52(58)59)45(82)74-37(14-6-18-68-53(60)61)46(83)75-38(15-7-19-69-54(62)63)47(84)76-39(16-8-20-70-55(64)65)48(85)79-42(23-31-26-66-28-73-31)50(87)78-41(22-30-25-72-36-13-4-2-10-33(30)36)49(86)80-43(27-89)51(88)77-40(44(57)81)21-29-24-71-35-12-3-1-9-32(29)35/h1-4,9-10,12-13,24-26,28,34,37-43,71-72,89H,5-8,11,14-23,27,56H2,(H2,57,81)(H,66,73)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,87)(H,79,85)(H,80,86)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)/t34-,37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	500	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 Dengue virus serotype 3 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513886 (CHEMBL4469970) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H85N25O9S/c1-30(83)75-38(14-6-18-68-54(59)60)47(85)76-39(15-7-19-69-55(61)62)48(86)77-40(16-8-20-70-56(63)64)49(87)78-41(17-9-21-71-57(65)66)50(88)81-44(24-33-27-67-29-74-33)52(90)80-43(23-32-26-73-37-13-5-3-11-35(32)37)51(89)82-45(28-92)53(91)79-42(46(58)84)22-31-25-72-36-12-4-2-10-34(31)36/h2-5,10-13,25-27,29,38-45,72-73,92H,6-9,14-24,28H2,1H3,(H2,58,84)(H,67,74)(H,75,83)(H,76,85)(H,77,86)(H,78,87)(H,79,91)(H,80,90)(H,81,88)(H,82,89)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG 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 Dengue virus serotype 3 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50583557 (CHEMBL5075993) Show SMILES CCOc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(cc2)-c2ccccc2)cc1N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	665	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DENV NS2B-NS3 protease assessed as inhibition constant using benzoyl-Nle-Lys-Arg-Arg-AMC as substrate incubated for 60 min by mea...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00653 BindingDB Entry DOI: 10.7270/Q21J9FNR
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513891 (CHEMBL4435875) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C50H84N24O8S/c1-26(2)19-36(44(80)74-38(24-83)46(82)71-35(39(52)75)20-27-22-66-31-11-4-3-9-29(27)31)72-45(81)37(21-28-23-61-25-67-28)73-43(79)34(14-8-18-65-50(59)60)70-42(78)33(13-7-17-64-49(57)58)69-41(77)32(12-6-16-63-48(55)56)68-40(76)30(51)10-5-15-62-47(53)54/h3-4,9,11,22-23,25-26,30,32-38,66,83H,5-8,10,12-21,24,51H2,1-2H3,(H2,52,75)(H,61,67)(H,68,76)(H,69,77)(H,70,78)(H,71,82)(H,72,81)(H,73,79)(H,74,80)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)/t30-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	700	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 Dengue virus serotype 3 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (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
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)	BDBM50175863 (Bz-Nle-Lys-Arg-Arg-CF3 | CHEMBL200294) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)C(F)(F)F Show InChI InChI=1S/C32H52F3N11O5/c1-2-3-13-22(44-26(48)20-11-5-4-6-12-20)28(50)45-23(14-7-8-17-36)29(51)46-24(16-10-19-42-31(39)40)27(49)43-21(25(47)32(33,34)35)15-9-18-41-30(37)38/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against CF40.NS3pro from Dengue virus type 2				Bioorg Med Chem Lett 16: 36-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.062 BindingDB Entry DOI: 10.7270/Q2639P97
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513888 (CHEMBL4439735) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C57H88N26O11S/c1-29(2)21-42(51(90)82-44(27-95)53(92)79-41(45(59)84)22-30-25-73-36-16-15-32(83(93)94)24-34(30)36)80-52(91)43(23-31-26-68-28-74-31)81-50(89)40(14-8-20-72-57(66)67)78-49(88)39(13-7-19-71-56(64)65)77-48(87)38(12-6-18-70-55(62)63)76-47(86)37(11-5-17-69-54(60)61)75-46(85)33-9-3-4-10-35(33)58/h3-4,9-10,15-16,24-26,28-29,37-44,73,95H,5-8,11-14,17-23,27,58H2,1-2H3,(H2,59,84)(H,68,74)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,92)(H,80,91)(H,81,89)(H,82,90)(H4,60,61,69)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.10E+3	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 Dengue virus serotype 2 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50588190 (CHEMBL5170076) Show SMILES NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50588190 (CHEMBL5170076) Show SMILES NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175982 (Bz-Lys-Arg-Arg-H | CHEMBL199510) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N10O4/c26-13-5-4-11-19(34-21(37)17-8-2-1-3-9-17)23(39)35-20(12-7-15-32-25(29)30)22(38)33-18(16-36)10-6-14-31-24(27)28/h1-3,8-9,16,18-20H,4-7,10-15,26H2,(H,33,38)(H,34,37)(H,35,39)(H4,27,28,31)(H4,29,30,32)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513888 (CHEMBL4439735) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C57H88N26O11S/c1-29(2)21-42(51(90)82-44(27-95)53(92)79-41(45(59)84)22-30-25-73-36-16-15-32(83(93)94)24-34(30)36)80-52(91)43(23-31-26-68-28-74-31)81-50(89)40(14-8-20-72-57(66)67)78-49(88)39(13-7-19-71-56(64)65)77-48(87)38(12-6-18-70-55(62)63)76-47(86)37(11-5-17-69-54(60)61)75-46(85)33-9-3-4-10-35(33)58/h3-4,9-10,15-16,24-26,28-29,37-44,73,95H,5-8,11-14,17-23,27,58H2,1-2H3,(H2,59,84)(H,68,74)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,92)(H,80,91)(H,81,89)(H,82,90)(H4,60,61,69)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.90E+3	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 Dengue virus serotype 4 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513891 (CHEMBL4435875) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C50H84N24O8S/c1-26(2)19-36(44(80)74-38(24-83)46(82)71-35(39(52)75)20-27-22-66-31-11-4-3-9-29(27)31)72-45(81)37(21-28-23-61-25-67-28)73-43(79)34(14-8-18-65-50(59)60)70-42(78)33(13-7-17-64-49(57)58)69-41(77)32(12-6-16-63-48(55)56)68-40(76)30(51)10-5-15-62-47(53)54/h3-4,9,11,22-23,25-26,30,32-38,66,83H,5-8,10,12-21,24,51H2,1-2H3,(H2,52,75)(H,61,67)(H,68,76)(H,69,77)(H,70,78)(H,71,82)(H,72,81)(H,73,79)(H,74,80)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)/t30-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.20E+3	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 Dengue virus serotype 4 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513890 (CHEMBL4518710) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C55H83N25O8S/c56-34(11-5-17-67-52(58)59)45(82)74-37(14-6-18-68-53(60)61)46(83)75-38(15-7-19-69-54(62)63)47(84)76-39(16-8-20-70-55(64)65)48(85)79-42(23-31-26-66-28-73-31)50(87)78-41(22-30-25-72-36-13-4-2-10-33(30)36)49(86)80-43(27-89)51(88)77-40(44(57)81)21-29-24-71-35-12-3-1-9-32(29)35/h1-4,9-10,12-13,24-26,28,34,37-43,71-72,89H,5-8,11,14-23,27,56H2,(H2,57,81)(H,66,73)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,87)(H,79,85)(H,80,86)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)/t34-,37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.20E+3	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 Dengue virus serotype 4 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50513886 (CHEMBL4469970) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H85N25O9S/c1-30(83)75-38(14-6-18-68-54(59)60)47(85)76-39(15-7-19-69-55(61)62)48(86)77-40(16-8-20-70-56(63)64)49(87)78-41(17-9-21-71-57(65)66)50(88)81-44(24-33-27-67-29-74-33)52(90)80-43(23-32-26-73-37-13-5-3-11-35(32)37)51(89)82-45(28-92)53(91)79-42(46(58)84)22-31-25-72-36-12-4-2-10-34(31)36/h2-5,10-13,25-27,29,38-45,72-73,92H,6-9,14-24,28H2,1H3,(H2,58,84)(H,67,74)(H,75,83)(H,76,85)(H,77,86)(H,78,87)(H,79,91)(H,80,90)(H,81,88)(H,82,89)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.70E+3	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 Dengue virus serotype 4 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by ...				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 (Dengue virus 2)	BDBM50175984 (BZ-Nle-Lys-Arg-(4-guanidinyl)-Phe-H | Bz-Nle-Lys-A...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C35H53N11O5/c1-2-3-12-27(44-30(48)24-10-5-4-6-11-24)32(50)45-28(13-7-8-19-36)33(51)46-29(14-9-20-41-34(37)38)31(49)42-26(22-47)21-23-15-17-25(18-16-23)43-35(39)40/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,42,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567933 (CHEMBL4855476) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50542797 (CHEMBL4640386) Show SMILES OC(=O)C(F)(F)F.CCCCCC(=O)N[C@H](C(=O)NCc1ccc(CN)cc1)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-2-3-5-10-27(33)32-28(29(34)31-20-23-13-11-22(19-30)12-14-23)25-15-17-26(18-16-25)35-21-24-8-6-4-7-9-24;3-2(4,5)1(6)7/h4,6-9,11-18,28H,2-3,5,10,19-21,30H2,1H3,(H,31,34)(H,32,33);(H,6,7)/t28-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+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 serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Ty...				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 (Dengue virus 2)	BDBM50567939 (CHEMBL4853944) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					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 (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
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr addition and measured...				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 (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)	BDBM50567923 (CHEMBL4858512) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50588187 (CHEMBL5194503) Show SMILES C[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175976 (Bz-Ala-Lys-Arg-Arg-H | CHEMBL197765) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C28H47N11O5/c1-18(36-24(42)19-9-3-2-4-10-19)23(41)38-21(12-5-6-14-29)26(44)39-22(13-8-16-35-28(32)33)25(43)37-20(17-40)11-7-15-34-27(30)31/h2-4,9-10,17-18,20-22H,5-8,11-16,29H2,1H3,(H,36,42)(H,37,43)(H,38,41)(H,39,44)(H4,30,31,34)(H4,32,33,35)/t18-,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50588187 (CHEMBL5194503) Show SMILES C[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+3	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.bmc.2021.116415 BindingDB Entry DOI: 10.7270/Q2TB1BV7
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against CF40.NS3pro from Dengue virus type 2				Bioorg Med Chem Lett 16: 36-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.062 BindingDB Entry DOI: 10.7270/Q2639P97
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175988 (Bz-Nle-Lys-Arg-(p-Me)Phe-H | CHEMBL199396) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#6])cc1)-[#6]=O Show InChI InChI=1S/C35H52N8O5/c1-3-4-13-28(41-31(45)26-11-6-5-7-12-26)33(47)42-29(14-8-9-20-36)34(48)43-30(15-10-21-39-35(37)38)32(46)40-27(23-44)22-25-18-16-24(2)17-19-25/h5-7,11-12,16-19,23,27-30H,3-4,8-10,13-15,20-22,36H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567923 (CHEMBL4858512) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567927 (CHEMBL4859856) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175987 (Bz-Phe-Lys-Arg-Arg-H | CHEMBL199736) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C34H51N11O5/c35-18-8-7-16-26(44-32(50)28(21-23-11-3-1-4-12-23)45-29(47)24-13-5-2-6-14-24)31(49)43-27(17-10-20-41-34(38)39)30(48)42-25(22-46)15-9-19-40-33(36)37/h1-6,11-14,22,25-28H,7-10,15-21,35H2,(H,42,48)(H,43,49)(H,44,50)(H,45,47)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567939 (CHEMBL4853944) Show SMILES NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccc(OCc3ccccc3)cc2)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02042 BindingDB Entry DOI: 10.7270/Q2280CDX
					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 (Dengue virus 2)	BDBM50583556 (CHEMBL5083861) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(cc2)-c2ccccc2)cc1N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DENV NS2B-NS3 protease assessed as inhibition constant using benzoyl-Nle-Lys-Arg-Arg-AMC as substrate incubated for 60 min by mea...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00653 BindingDB Entry DOI: 10.7270/Q21J9FNR
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175974 (Bz-Nle-Lys-Arg-Trp-H | CHEMBL433993) Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |wU:4.4,26.26,wD:17.17,37.37,(24.2,-41.88,;22.87,-42.66,;22.88,-44.2,;21.55,-44.97,;21.55,-46.51,;20.22,-47.29,;18.89,-46.52,;18.88,-44.98,;17.56,-47.3,;16.21,-46.53,;14.87,-47.3,;14.87,-48.86,;16.21,-49.64,;17.56,-48.86,;22.89,-47.28,;22.9,-48.82,;24.22,-46.5,;25.56,-47.27,;25.56,-48.81,;24.23,-49.58,;24.24,-51.12,;22.91,-51.9,;22.92,-53.44,;26.89,-46.49,;26.88,-44.95,;28.23,-47.25,;29.56,-46.48,;29.56,-44.94,;30.9,-44.18,;30.91,-42.64,;32.24,-41.87,;32.25,-40.33,;33.58,-39.57,;30.92,-39.56,;30.89,-47.26,;30.88,-48.8,;32.22,-46.49,;33.55,-47.27,;33.55,-48.81,;34.87,-49.59,;34.71,-51.12,;36.12,-51.75,;37.15,-50.6,;38.71,-50.6,;39.47,-49.26,;38.69,-47.92,;37.15,-47.93,;36.38,-49.26,;34.89,-46.5,;34.9,-44.96,)| Show InChI InChI=1S/C36H51N9O5/c1-2-3-15-29(43-32(47)24-12-5-4-6-13-24)34(49)44-30(17-9-10-19-37)35(50)45-31(18-11-20-40-36(38)39)33(48)42-26(23-46)21-25-22-41-28-16-8-7-14-27(25)28/h4-8,12-14,16,22-23,26,29-31,41H,2-3,9-11,15,17-21,37H2,1H3,(H,42,48)(H,43,47)(H,44,49)(H,45,50)(H4,38,39,40)/t26-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50572174 (CHEMBL4878316) Show SMILES Oc1cc2nc(NC(=O)c3ccc(I)cc3)sc2cc1O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DENV2 NS2B-NS3 protease by Dixon plot analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116392 BindingDB Entry DOI: 10.7270/Q2D50RR1
					More data for this Ligand-Target Pair

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