Found 23 hits with Last Name = 'aquino' and Initial = 'tm' 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 |
|---|
Genome polyprotein
(Dengue virus) | BDBM50323197
(7''-O-methylamentoflavone | CHEMBL450522 | sotetsu...)Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(22.48,-45.72,;23.81,-44.95,;25.14,-45.72,;25.14,-47.26,;26.47,-48.03,;26.47,-49.57,;27.81,-47.26,;27.81,-45.71,;29.14,-44.93,;30.48,-45.71,;30.48,-47.26,;29.14,-48.03,;29.14,-49.57,;31.82,-44.95,;33.14,-45.72,;34.48,-44.95,;34.48,-43.41,;35.82,-42.64,;33.14,-42.64,;31.81,-43.41,;26.47,-44.95,;25.28,-42.99,;23.95,-43.76,;22.62,-42.99,;22.61,-41.46,;23.93,-40.68,;25.28,-41.45,;26.61,-40.67,;21.29,-43.77,;21.29,-45.31,;19.96,-46.09,;19.96,-47.63,;18.62,-45.33,;18.61,-43.78,;17.27,-43.02,;15.95,-43.79,;14.62,-43.02,;15.95,-45.33,;17.28,-46.1,;17.28,-47.64,;19.94,-42.99,)| Show InChI InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-34,36,38H,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Zika virus) | BDBM50350203
(CHEMBL1814771)Show SMILES Nc1ncnc2n(cc(-c3cc4ccccc4o3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H18N4O5/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22)/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50323198
(4'''-methylamentoflavone | CHEMBL220745 | podocarp...)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)| Show InChI InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-33,35-37H,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Zika virus) | BDBM50601689
(CHEMBL5180295)Show SMILES CCNC(=O)Cn1cnc(NC(=O)c2cc(nc3onc(C)c23)-c2ccc(C)cc2)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Zika virus) | BDBM429505
(Remdesivir | US20240034730, Compound Remdesivir | ...)Show SMILES CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1 Show InChI InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50601687
(CHEMBL5192551)Show SMILES Fc1cccc(\C=C2/S\C(NC2=O)=N\c2nnc(s2)-c2ccccc2Cl)c1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50601688
(CHEMBL5199491)Show SMILES Fc1cccc(\C=C2/S\C(NC2=O)=N\c2nnc(s2)-c2cccc(F)c2)c1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50187500
(CHEMBL3828526)Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C Show InChI InChI=1S/C23H24N2O2S2/c1-3-14-25-18(16-10-6-5-7-11-16)15-28-23(25)24-21-20(22(26)27-4-2)17-12-8-9-13-19(17)29-21/h3,5-7,10-11,15H,1,4,8-9,12-14H2,2H3/b24-23- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50300193
(2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylami...)Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50300193
(2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylami...)Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Zika virus) | BDBM50478971
(2''C-Me-ATP | CHEMBL374931)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-11(18)7(17)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,10-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Zika virus) | BDBM50601690
(CHEMBL2057532)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50525250
(CHEMBL4526128)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccccc2)c(=O)n2c3cc(OC4CCCCC4)ccc3sc12 |r| Show InChI InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50187498
(CHEMBL3828195)Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C Show InChI InChI=1S/C19H22N2O5S2/c1-3-9-21-17(24)13(10-14(22)23)28-19(21)20-16-15(18(25)26-4-2)11-7-5-6-8-12(11)27-16/h3,13H,1,4-10H2,2H3,(H,22,23)/b20-19- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50187496
(CHEMBL3827174)Show SMILES CCOC(=O)c1s\c(=N/c2sc3CCCCc3c2C(=O)OCC)n(CC=C)c1C Show InChI InChI=1S/C21H26N2O4S2/c1-5-12-23-13(4)17(20(25)27-7-3)29-21(23)22-18-16(19(24)26-6-2)14-10-8-9-11-15(14)28-18/h5H,1,6-12H2,2-4H3/b22-21- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50187499
(CHEMBL3827125)Show SMILES CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C Show InChI InChI=1S/C20H24N2O5S2/c1-4-9-22-18(25)14(10-15(23)24)29-20(22)21-17-16(19(26)27-11(2)3)12-7-5-6-8-13(12)28-17/h4,11,14H,1,5-10H2,2-3H3,(H,23,24)/b21-20- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50187497
(CHEMBL3827864)Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1c1ccccc1 Show InChI InChI=1S/C22H22N2O5S2/c1-2-29-21(28)18-14-10-6-7-11-15(14)30-19(18)23-22-24(13-8-4-3-5-9-13)20(27)16(31-22)12-17(25)26/h3-5,8-9,16H,2,6-7,10-12H2,1H3,(H,25,26)/b23-22- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry |
Bioorg Med Chem 24: 4228-4240 (2016)
Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50601686
(CHEMBL5182967) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50601685
(CHEMBL5205786) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
Polyprotein P1234
(Chikungunya virus (strain S27-African prototype) (...) | BDBM50450958
(CHEMBL4209509)Show SMILES CCOc1ccc(\C=N\NC(=O)\C=C\Cc2ccc(cc2)C(C)(C)C)cc1OCC Show InChI InChI=1S/C25H32N2O3/c1-6-29-22-16-13-20(17-23(22)30-7-2)18-26-27-24(28)10-8-9-19-11-14-21(15-12-19)25(3,4)5/h8,10-18H,6-7,9H2,1-5H3,(H,27,28)/b10-8+,26-18+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Chikungunya virus nsP2 protease infected in African green monkey Vero cells assessed as inhibition of viral-induced cytopathic effect b... |
Bioorg Med Chem 25: 4219-4244 (2017)
Article DOI: 10.1016/j.bmc.2017.06.049
BindingDB Entry DOI: 10.7270/Q24X5BC4 |
More data for this
Ligand-Target Pair | |
Polyprotein P1234
(Chikungunya virus (strain S27-African prototype) (...) | BDBM50450957
(CHEMBL3125915)Show SMILES CCOc1ccc(\C=N\NC(=O)C2CC2c2ccc(cc2)C(C)(C)C)cc1OCC Show InChI InChI=1S/C25H32N2O3/c1-6-29-22-13-8-17(14-23(22)30-7-2)16-26-27-24(28)21-15-20(21)18-9-11-19(12-10-18)25(3,4)5/h8-14,16,20-21H,6-7,15H2,1-5H3,(H,27,28)/b26-16+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Federal University of Alagoas
Curated by ChEMBL
| Assay Description
Inhibition of Chikungunya virus nsP2 protease infected in African green monkey Vero cells assessed as inhibition of viral-induced cytopathic effect b... |
Bioorg Med Chem 25: 4219-4244 (2017)
Article DOI: 10.1016/j.bmc.2017.06.049
BindingDB Entry DOI: 10.7270/Q24X5BC4 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50601687
(CHEMBL5192551)Show SMILES Fc1cccc(\C=C2/S\C(NC2=O)=N\c2nnc(s2)-c2ccccc2Cl)c1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113698
BindingDB Entry DOI: 10.7270/Q2G164WW |
More data for this
Ligand-Target Pair | |
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