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PubMed code 29477077

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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
Genome polyprotein


(Hepatitis C virus)		BDBM50142916
PNG
((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22|
Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
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 0.0890n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a NS3 protease

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458174
PNG
(CHEMBL4212267)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1
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 2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458174
PNG
(CHEMBL4212267)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1
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 5.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50366760
PNG
(CHEMBL2369589)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
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 9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50142916
PNG
((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22|
Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458174
PNG
(CHEMBL4212267)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458173
PNG
(CHEMBL4217239)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458171
PNG
(CHEMBL4208860)
Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458175
PNG
(CHEMBL3797556)
Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)NC2(CC(C2)OCc2ccccc2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |(14.39,-12.96,;13.32,-12.34,;13.32,-13.57,;12.26,-12.95,;13.33,-10.8,;12,-10.02,;10.93,-10.64,;12,-8.48,;10.67,-7.71,;9.34,-8.48,;8,-7.7,;6.94,-8.32,;8.01,-6.16,;6.68,-5.39,;5.34,-6.15,;4.01,-5.38,;2.67,-6.14,;1.34,-5.36,;1.35,-3.82,;2.69,-3.06,;4.01,-3.84,;9.34,-5.4,;9.34,-3.85,;10.68,-3.08,;11.74,-3.7,;10.67,-1.54,;12.01,-.77,;13.1,.22,;12.01,1.31,;10.92,.22,;12,2.85,;10.66,3.61,;10.66,5.15,;9.33,5.92,;9.32,7.46,;10.66,8.23,;11.99,7.47,;11.99,5.93,;13.34,-1.54,;13.35,-2.77,;14.68,-.77,;16.01,-1.54,;16.01,-2.77,;14.95,-2.15,;17.35,-.76,;17.35,.78,;18.68,1.55,;20.01,.78,;20.01,-.76,;18.68,-1.53,;21.35,1.55,;21.35,2.78,;22.41,.93,;22.41,2.16,;10.67,-6.17,;11.74,-5.55,)|
Show InChI InChI=1S/C38H46ClF3N6O7S/c1-36(2,3)46-35(52)44-32-33(50)48(29(31(39)43-32)19-14-24-10-6-4-7-11-24)22-30(49)45-37(20-27(21-37)55-23-25-12-8-5-9-13-25)34(51)47-56(53,54)28-17-15-26(16-18-28)38(40,41)42/h5,8-9,12-13,15-18,24,27H,4,6-7,10-11,14,19-23H2,1-3H3,(H,45,49)(H,47,51)(H2,43,44,46,52)
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 68n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458177
PNG
(CHEMBL3797877)
Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(O)=O)c1=O
Show InChI InChI=1S/C26H34ClN5O5/c1-26(2,3)31-25(37)30-22-23(34)32(15-20(33)28-18-12-8-7-11-17(18)24(35)36)19(21(27)29-22)14-13-16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,28,33)(H,35,36)(H2,29,30,31,37)
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 70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458179
PNG
(CHEMBL3798865)
Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)-c2cncnc2)c1=O
Show InChI InChI=1S/C37H40ClF3N8O6S/c1-36(2,3)47-35(53)46-32-34(52)49(29(31(38)45-32)16-9-22-7-5-4-6-8-22)20-30(50)44-28-17-23(24-18-42-21-43-19-24)10-15-27(28)33(51)48-56(54,55)26-13-11-25(12-14-26)37(39,40)41/h10-15,17-19,21-22H,4-9,16,20H2,1-3H3,(H,44,50)(H,48,51)(H2,45,46,47,53)
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 87n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458173
PNG
(CHEMBL4217239)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1
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 135n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458173
PNG
(CHEMBL4217239)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1
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 160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458176
PNG
(CHEMBL3798789)
Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccccc2S(=O)(=O)NC(=O)c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C36H32ClF3N6O6S/c1-35(2,3)44-34(50)43-31-33(49)46(27(30(37)42-31)19-23-11-8-10-21-9-4-5-12-25(21)23)20-29(47)41-26-13-6-7-14-28(26)53(51,52)45-32(48)22-15-17-24(18-16-22)36(38,39)40/h4-18H,19-20H2,1-3H3,(H,41,47)(H,45,48)(H2,42,43,44,50)
PDB
MMDB

UniProtKB/TrEMBL

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 170n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458171
PNG
(CHEMBL4208860)
Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1
PDB
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 190n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458172
PNG
(CHEMBL4213784)
Show SMILES CC(C)(C)N1CCN(C1=O)c1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H32ClF3N6O6S/c1-33(2,3)44-18-17-42(32(44)48)29-31(47)43(26(28(35)40-29)19-21-9-5-4-6-10-21)20-27(45)39-25-12-8-7-11-24(25)30(46)41-51(49,50)23-15-13-22(14-16-23)34(36,37)38/h4-16H,17-20H2,1-3H3,(H,39,45)(H,41,46)
PDB
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UniProtKB/TrEMBL

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 380n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50458178
PNG
(CHEMBL4204522)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1NC(=O)Cn1c(Cc2ccccc2)c(Cl)nc(NNC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C34H26ClF3N6O6S/c35-29-27(19-21-9-3-1-4-10-21)44(33(48)30(40-29)41-42-31(46)22-11-5-2-6-12-22)20-28(45)39-26-14-8-7-13-25(26)32(47)43-51(49,50)24-17-15-23(16-18-24)34(36,37)38/h1-18H,19-20H2,(H,39,45)(H,40,41)(H,42,46)(H,43,47)
PDB
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UniProtKB/TrEMBL

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 1.65E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...

Eur J Med Chem 148: 453-464 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.032
BindingDB Entry DOI: 10.7270/Q2BG2RMG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%