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Compile Data Set for Download or QSAR

Found 103 hits of ic50 data for polymerid = 5179   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501173
PNG
(CHEMBL3968123)
Show SMILES Oc1ccc(CCCCC(=O)NNCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C18H22N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-10,19,21-22,24-25H,1-4,11H2,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 70n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501198
PNG
(CHEMBL3968504)
Show SMILES Oc1ccc(CCC(=O)NNCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C16H18N2O5/c19-12-5-1-10(2-6-12)3-8-14(21)18-17-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,17,19-20,22-23H,3,8-9H2,(H,18,21)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 80n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501209
PNG
(CHEMBL3896963)
Show SMILES Oc1ccc(CCCC(=O)NNCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C17H20N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-9,18,20-21,23-24H,1-3,10H2,(H,19,22)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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n/an/a 100n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501212
PNG
(CHEMBL3924623)
Show SMILES Oc1ccc(CCCCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C18H20N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-11,21-22,24-25H,1-4H2,(H,20,23)/b19-11+
PDB
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UniProtKB/SwissProt

B.MOAD
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n/an/a 110n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501192
PNG
(CHEMBL3938952)
Show SMILES Oc1ccc(CC(=O)NNCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C15H16N2O5/c18-11-4-1-9(2-5-11)7-13(20)17-16-8-10-3-6-12(19)15(22)14(10)21/h1-6,16,18-19,21-22H,7-8H2,(H,17,20)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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n/an/a 110n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501177
PNG
(CHEMBL3984899)
Show SMILES Oc1ccc(CCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C16H16N2O5/c19-12-5-1-10(2-6-12)3-8-14(21)18-17-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,9,19-20,22-23H,3,8H2,(H,18,21)/b17-9+
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
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n/an/a 120n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485810
PNG
(CHEMBL2164935)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccnc2ccccc12
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-18-22(3)50-43-30)36(48)41-29(19-23-8-10-25(37)11-9-23)34(46)40-26(12-14-31(38)44)13-15-32(45)49-20-24-16-17-39-28-7-5-4-6-27(24)28/h4-11,13,15-18,21,26,29,33H,12,14,19-20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b15-13+/t26-,29+,33+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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n/an/a 130n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501169
PNG
(CHEMBL3955342)
Show SMILES Oc1ccc(CCCC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C17H18N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-10,20-21,23-24H,1-3H2,(H,19,22)/b18-10+
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
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n/an/a 160n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485817
PNG
(CHEMBL2164929)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cn2c(C)cccc2n1
Show InChI InChI=1S/C35H40FN7O7/c1-20(2)32(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-8-10-24(36)11-9-23)33(46)39-25(12-14-29(37)44)13-15-31(45)49-19-26-18-43-21(3)6-5-7-30(43)38-26/h5-11,13,15-16,18,20,25,27,32H,12,14,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b15-13+/t25-,27+,32+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PubMed
n/an/a 160n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485807
PNG
(CHEMBL2164928)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cn2cccc(C)c2n1
Show InChI InChI=1S/C35H40FN7O7/c1-20(2)31(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-7-9-24(36)10-8-23)33(46)39-25(11-13-29(37)44)12-14-30(45)49-19-26-18-43-15-5-6-21(3)32(43)38-26/h5-10,12,14-16,18,20,25,27,31H,11,13,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b14-12+/t25-,27+,31+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 170n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501195
PNG
(CHEMBL3965219)
Show SMILES Oc1ccc(cc1)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C14H14N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-6,15,17-20H,7H2,(H,16,21)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
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n/an/a 170n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501171
PNG
(CHEMBL3956254)
Show SMILES Oc1ccc(CC(=O)N\N=C\c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C15H14N2O5/c18-11-4-1-9(2-5-11)7-13(20)17-16-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,18-19,21-22H,7H2,(H,17,20)/b16-8+
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485814
PNG
(CHEMBL2164927)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(16-21-4-7-24(35)8-5-21)32(45)38-25(9-12-29(36)43)10-13-30(44)48-18-22-6-11-26-23(15-22)17-37-41-26/h4-8,10-11,13-15,17,19,25,27,31H,9,12,16,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-10+/t25-,27+,31+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501197
PNG
(CHEMBL3940618)
Show SMILES Oc1ccc(CNNC(=O)CCCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C18H22N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-11,19,21,23-24H,4-5,8-9,12H2,(H,20,22)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
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n/an/a 190n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501205
PNG
(CHEMBL3985073)
Show SMILES Oc1ccc(CNNC(=O)CCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C16H17FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,18,20,22-23H,3,8-9H2,(H,19,21)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501211
PNG
(CHEMBL3912366)
Show SMILES Oc1ccc(CNNC(=O)c2ccc(Br)cc2)c(O)c1O
Show InChI InChI=1S/C14H13BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
PDB
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B.MOAD
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n/an/a 210n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501193
PNG
(CHEMBL3954125)
Show SMILES Oc1ccc(CNNC(=O)CCCCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C18H21FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-10,20,22,24-25H,1-4,11H2,(H,21,23)
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n/an/a 230n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501163
PNG
(CHEMBL3979141)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C26H30FN5O7/c1-13(2)21(30-24(36)19-10-14(3)39-32-19)26(38)29-18(11-15-4-7-17(27)8-5-15)25(37)31-28-12-16-6-9-20(33)23(35)22(16)34/h4-10,13,18,21,28,33-35H,11-12H2,1-3H3,(H,29,38)(H,30,36)(H,31,37)/t18-,21-/m0/s1
PDB
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B.MOAD
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n/an/a 230n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485808
PNG
(CHEMBL2164937)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)27-16-20(3)49-42-27)34(47)40-26(17-21-8-10-22(35)11-9-21)32(45)37-23(12-14-28(36)43)13-15-30(44)48-18-29-38-24-6-4-5-7-25(24)39-29/h4-11,13,15-16,19,23,26,31H,12,14,17-18H2,1-3H3,(H2,36,43)(H,37,45)(H,38,39)(H,40,47)(H,41,46)/b15-13+/t23-,26+,31+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a 240n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485811
PNG
(CHEMBL2164932)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2cnccc2c1
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-16-22(3)50-43-30)36(48)41-29(18-23-5-8-27(37)9-6-23)34(46)40-28(10-12-31(38)44)11-13-32(45)49-20-24-4-7-26-19-39-15-14-25(26)17-24/h4-9,11,13-17,19,21,28-29,33H,10,12,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b13-11+/t28-,29+,33+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a 240n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485815
PNG
(CHEMBL2164933)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cnc2ccccc2c1
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-16-22(3)50-43-30)36(48)41-29(18-23-8-10-26(37)11-9-23)34(46)40-27(12-14-31(38)44)13-15-32(45)49-20-24-17-25-6-4-5-7-28(25)39-19-24/h4-11,13,15-17,19,21,27,29,33H,12,14,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b15-13+/t27-,29+,33+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501208
PNG
(CHEMBL3914895)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C21H27N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,15,22,25-28H,10-11H2,1-3H3,(H,23,30)(H,24,29)
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n/an/a 270n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485819
PNG
(CHEMBL2164934)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2cnccc12
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-17-22(3)50-43-30)36(48)41-29(18-23-7-9-26(37)10-8-23)34(46)40-27(11-13-31(38)44)12-14-32(45)49-20-25-6-4-5-24-19-39-16-15-28(24)25/h4-10,12,14-17,19,21,27,29,33H,11,13,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b14-12+/t27-,29+,33+/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485809
PNG
(CHEMBL2164936)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2ncccc12
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-18-22(3)50-43-30)36(48)41-29(19-23-9-11-25(37)12-10-23)34(46)40-26(13-15-31(38)44)14-16-32(45)49-20-24-6-4-8-28-27(24)7-5-17-39-28/h4-12,14,16-18,21,26,29,33H,13,15,19-20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b16-14+/t26-,29+,33+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501158
PNG
(CHEMBL3921225)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C14H12N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-7,17-20H,(H,16,21)/b15-7+
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n/an/a 320n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501202
PNG
(CHEMBL3905221)
Show SMILES Oc1ccc(CNNC(=O)CCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C16H18N2O4/c19-13-8-7-12(15(21)16(13)22)10-17-18-14(20)9-6-11-4-2-1-3-5-11/h1-5,7-8,17,19,21-22H,6,9-10H2,(H,18,20)
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n/an/a 320n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501194
PNG
(CHEMBL3984044)
Show SMILES Oc1ccc(CNNC(=O)CCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H20N2O4/c20-14-10-9-13(16(22)17(14)23)11-18-19-15(21)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,18,20,22-23H,4,7-8,11H2,(H,19,21)
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n/an/a 340n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501164
PNG
(CHEMBL3965202)
Show SMILES Oc1ccc(CNNC(=O)Cc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C15H15FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,17,19,21-22H,7-8H2,(H,18,20)
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n/an/a 340n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485820
PNG
(CHEMBL2165220)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(15-21-5-8-24(35)9-6-21)32(45)38-25(10-12-29(36)43)11-13-30(44)48-18-22-4-7-23-17-37-41-26(23)16-22/h4-9,11,13-14,16-17,19,25,27,31H,10,12,15,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-11+/t25-,27+,31+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501166
PNG
(CHEMBL3967501)
Show SMILES Oc1ccc(CNNC(=O)CCCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C17H19FN2O4/c18-13-7-4-11(5-8-13)2-1-3-15(22)20-19-10-12-6-9-14(21)17(24)16(12)23/h4-9,19,21,23-24H,1-3,10H2,(H,20,22)
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n/an/a 400n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485812
PNG
(CHEMBL2164931)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C37H40FN5O7/c1-22(2)34(42-36(47)31-18-23(3)50-43-31)37(48)41-30(20-24-9-12-28(38)13-10-24)35(46)40-29(14-16-32(39)44)15-17-33(45)49-21-25-8-11-26-6-4-5-7-27(26)19-25/h4-13,15,17-19,22,29-30,34H,14,16,20-21H2,1-3H3,(H2,39,44)(H,40,46)(H,41,48)(H,42,47)/b17-15+/t29-,30+,34+/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501210
PNG
(CHEMBL3938022)
Show SMILES Oc1ccc(CNNC(=O)Cc2ccccc2)c(O)c1O
Show InChI InChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,16,18,20-21H,8-9H2,(H,17,19)
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n/an/a 410n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501203
PNG
(CHEMBL3940356)
Show SMILES Oc1ccc(CNNC(=O)c2ccc(Cl)cc2)c(O)c1O
Show InChI InChI=1S/C14H13ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
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n/an/a 430n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501167
PNG
(CHEMBL3939877)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C18H20N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12,21,23-24H,4-5,8-9H2,(H,20,22)/b19-12+
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n/an/a 440n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501183
PNG
(CHEMBL3930170)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1O
Show InChI InChI=1S/C14H11BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-7,18-20H,(H,17,21)/b16-7+
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n/an/a 460n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501213
PNG
(CHEMBL3921935)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C18H19FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-11,22,24-25H,1-4H2,(H,21,23)/b20-11+
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n/an/a 470n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485818
PNG
(CHEMBL2165219)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)28-14-20(3)49-42-28)34(47)40-27(15-21-4-7-23(35)8-5-21)32(45)39-24(9-12-29(36)43)10-13-30(44)48-17-22-6-11-25-26(16-22)38-18-37-25/h4-8,10-11,13-14,16,18-19,24,27,31H,9,12,15,17H2,1-3H3,(H2,36,43)(H,37,38)(H,39,45)(H,40,47)(H,41,46)/b13-10+/t24-,27+,31+/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501200
PNG
(CHEMBL3931321)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C21H25N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,11,15,25-28H,10H2,1-3H3,(H,23,30)(H,24,29)/b22-11+
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n/an/a 540n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50462020
PNG
(CHEMBL515513)
Show SMILES ClC1=C(Nc2cccc(Cl)c2)C(=O)c2[nH]c(nc2C1=O)-c1ccncc1
Show InChI InChI=1S/C18H10Cl2N4O2/c19-10-2-1-3-11(8-10)22-13-12(20)16(25)14-15(17(13)26)24-18(23-14)9-4-6-21-7-5-9/h1-8,22H,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...


Bioorg Med Chem Lett 28: 2533-2538 (2018)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50462028
PNG
(CHEMBL4226173)
Show SMILES Clc1ccc(SC2=C(Sc3ccc(Cl)cc3)C(=O)c3[nH]c(nc3C2=O)-c2ccncc2)cc1
Show InChI InChI=1S/C24H13Cl2N3O2S2/c25-14-1-5-16(6-2-14)32-22-20(30)18-19(29-24(28-18)13-9-11-27-12-10-13)21(31)23(22)33-17-7-3-15(26)4-8-17/h1-12H,(H,28,29)
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n/an/a 570n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...


Bioorg Med Chem Lett 28: 2533-2538 (2018)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501179
PNG
(CHEMBL3930870)
Show SMILES Oc1ccc(\C=N\NC(=O)CCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C16H15FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,9,20,22-23H,3,8H2,(H,19,21)/b18-9+
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n/an/a 580n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501199
PNG
(CHEMBL3957675)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1O
Show InChI InChI=1S/C14H11ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-7,18-20H,(H,17,21)/b16-7+
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n/an/a 590n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501176
PNG
(CHEMBL3957764)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C26H28FN5O7/c1-13(2)21(30-24(36)19-10-14(3)39-32-19)26(38)29-18(11-15-4-7-17(27)8-5-15)25(37)31-28-12-16-6-9-20(33)23(35)22(16)34/h4-10,12-13,18,21,33-35H,11H2,1-3H3,(H,29,38)(H,30,36)(H,31,37)/b28-12+/t18-,21-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50106501
PNG
(6,7-Dichloro-5,8-quinolinequinone | 6,7-Dichloro-q...)
Show SMILES ClC1=C(Cl)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C9H3Cl2NO2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H
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n/an/a 630n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...


Bioorg Med Chem Lett 28: 2533-2538 (2018)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501178
PNG
(CHEMBL3963346)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C17H17FN2O4/c18-13-7-4-11(5-8-13)2-1-3-15(22)20-19-10-12-6-9-14(21)17(24)16(12)23/h4-10,21,23-24H,1-3H2,(H,20,22)/b19-10+
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n/an/a 640n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485816
PNG
(CHEMBL2165218)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C34H37ClFN7O7/c1-18(2)31(42-33(47)27-14-19(3)50-43-27)34(48)41-26(15-20-4-7-22(36)8-5-20)32(46)38-23(9-12-28(37)44)10-13-30(45)49-17-29-39-24-11-6-21(35)16-25(24)40-29/h4-8,10-11,13-14,16,18,23,26,31H,9,12,15,17H2,1-3H3,(H2,37,44)(H,38,46)(H,39,40)(H,41,48)(H,42,47)/b13-10+/t23-,26+,31+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50485813
PNG
(CHEMBL2164930)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1nc(no1)-c1ccncc1
Show InChI InChI=1S/C34H37FN8O8/c1-19(2)30(41-33(47)26-16-20(3)50-42-26)34(48)39-25(17-21-4-6-23(35)7-5-21)32(46)38-24(8-10-27(36)44)9-11-29(45)49-18-28-40-31(43-51-28)22-12-14-37-15-13-22/h4-7,9,11-16,19,24-25,30H,8,10,17-18H2,1-3H3,(H2,36,44)(H,38,46)(H,39,48)(H,41,47)/b11-9+/t24-,25+,30+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501206
PNG
(CHEMBL3903340)
Show SMILES Oc1ccc(CNNC(=O)c2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C14H13FN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
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n/an/a 650n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501201
PNG
(CHEMBL3947958)
Show SMILES Oc1ccc(CNNC(=O)c2ccccc2)c(O)c1O
Show InChI InChI=1S/C14H14N2O4/c17-11-7-6-10(12(18)13(11)19)8-15-16-14(20)9-4-2-1-3-5-9/h1-7,15,17-19H,8H2,(H,16,20)
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n/an/a 650n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50501180
PNG
(CHEMBL3964097)
Show SMILES Oc1ccc(\C=N\NC(=O)Cc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C15H13FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,19,21-22H,7H2,(H,18,20)/b17-8+
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n/an/a 660n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)

More data for this
Ligand-Target Pair
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