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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'santhanam' and Initial = 'b'   
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 (HCV genotype 1a, isolate H))
BDBM12287
PNG
(SCH 491762 | tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19?,20-,21-,22-/m0/s1
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12309
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-14-16(26(14,7)8)17(31)21(34)28-15(11-13-9-10-13)18(32)20(27)33/h13-17,19H,9-12H2,1-8H3,(H2,27,33)(H,28,34)(H2,29,30,36)/t14-,15?,16-,17-,19+/m0/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12307
PNG
((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H43N5O5/c1-13(2)28-24(36)30-20(25(3,4)5)23(35)31-12-15-17(26(15,6)7)18(31)22(34)29-16(19(32)21(27)33)11-14-9-8-10-14/h13-18,20H,8-12H2,1-7H3,(H2,27,33)(H,29,34)(H2,28,30,36)/t15-,16?,17-,18-,20+/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12286
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C28H44N4O6/c1-27(2,3)38-26(37)31-20(16-9-7-6-8-10-16)25(36)32-14-17-19(28(17,4)5)21(32)24(35)30-18(13-15-11-12-15)22(33)23(29)34/h15-21H,6-14H2,1-5H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1
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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12308
PNG
((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C29H49N5O5/c1-15(27(2,3)4)31-26(39)33-22(28(5,6)7)25(38)34-14-17-19(29(17,8)9)20(34)24(37)32-18(21(35)23(30)36)13-16-11-10-12-16/h15-20,22H,10-14H2,1-9H3,(H2,30,36)(H,32,37)(H2,31,33,39)/t15-,17+,18?,19+,20+,22-/m1/s1
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12305
PNG
((2R)-3-methylbutan-2-yl N-[(2S)-1-[(1R,2S,5S)-2-[(...)
Show SMILES CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C28H46N4O6/c1-14(2)15(3)38-26(37)31-22(27(4,5)6)25(36)32-13-17-19(28(17,7)8)20(32)24(35)30-18(21(33)23(29)34)12-16-10-9-11-16/h14-20,22H,9-13H2,1-8H3,(H2,29,34)(H,30,35)(H,31,37)/t15-,17+,18?,19+,20+,22-/m1/s1
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36n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12314
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C28H45N5O5/c1-27(2,3)32-26(38)31-20(16-9-7-6-8-10-16)25(37)33-14-17-19(28(17,4)5)21(33)24(36)30-18(13-15-11-12-15)22(34)23(29)35/h15-21H,6-14H2,1-5H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t17-,18?,19-,20-,21-/m0/s1
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12315
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C29H47N5O5/c1-28(2,3)33-27(39)32-21(17-12-7-6-8-13-17)26(38)34-15-18-20(29(18,4)5)22(34)25(37)31-19(23(35)24(30)36)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,36)(H,31,37)(H2,32,33,39)/t18-,19?,20-,21-,22-/m0/s1
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12292
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C26H39F3N4O6/c1-24(2,3)39-23(38)32-17(13-9-7-6-8-10-13)22(37)33-12-14-16(25(14,4)5)18(33)21(36)31-15(11-26(27,28)29)19(34)20(30)35/h13-18H,6-12H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t14-,15?,16-,17-,18-/m0/s1
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12274
PNG
(1-Methyl-1-Phenylethyl-[[3-[[[(1R,5S)-3-[(S)-cyclo...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)OC(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C38H56N4O8/c1-9-16-26(31(44)33(46)39-21-27(43)49-38(7,8)24-19-14-11-15-20-24)40-32(45)30-28-25(37(28,5)6)22-42(30)34(47)29(23-17-12-10-13-18-23)41-35(48)50-36(2,3)4/h11,14-15,19-20,23,25-26,28-30H,9-10,12-13,16-18,21-22H2,1-8H3,(H,39,46)(H,40,45)(H,41,48)/t25-,26?,28-,29-,30-/m0/s1
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50 -42.4n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12269
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C37H55N5O7/c1-8-15-26(31(44)33(46)38-20-27(43)39-22(2)23-16-11-9-12-17-23)40-32(45)30-28-25(37(28,6)7)21-42(30)34(47)29(24-18-13-10-14-19-24)41-35(48)49-36(3,4)5/h9,11-12,16-17,22,24-26,28-30H,8,10,13-15,18-21H2,1-7H3,(H,38,46)(H,39,43)(H,40,45)(H,41,48)/t22-,25+,26?,28+,29+,30+/m1/s1
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55 -42.1n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12267
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H53N5O7/c1-7-14-25(30(43)32(45)38-20-26(42)37-19-22-15-10-8-11-16-22)39-31(44)29-27-24(36(27,5)6)21-41(29)33(46)28(23-17-12-9-13-18-23)40-34(47)48-35(2,3)4/h8,10-11,15-16,23-25,27-29H,7,9,12-14,17-21H2,1-6H3,(H,37,42)(H,38,45)(H,39,44)(H,40,47)/t24-,25?,27-,28-,29-/m0/s1
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56 -42.1n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12297
PNG
(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H42N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-17,19H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15?,16-,17-,19+/m0/s1
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57n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12268
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1cccs1 |r|
Show InChI InChI=1S/C34H51N5O7S/c1-7-12-23(28(41)30(43)36-18-24(40)35-17-21-15-11-16-47-21)37-29(42)27-25-22(34(25,5)6)19-39(27)31(44)26(20-13-9-8-10-14-20)38-32(45)46-33(2,3)4/h11,15-16,20,22-23,25-27H,7-10,12-14,17-19H2,1-6H3,(H,35,40)(H,36,43)(H,37,42)(H,38,45)/t22-,23?,25-,26-,27-/m0/s1
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60 -41.9n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12312
PNG
((1R,5S)-3-[2(S)-[[[(1,1-dimethylethyl)methylamino]...)
Show SMILES CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31(9)26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(12-14-10-11-14)19(33)21(28)34/h14-18,20H,10-13H2,1-9H3,(H2,28,34)(H,29,35)(H,30,37)/t15-,16?,17-,18-,20+/m0/s1
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60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9727
PNG
(2-methylpropyl N-[(S)-{[(1S)-1-({1-[({[(S)-carbamo...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H54N6O8/c1-6-13-25(30(43)34(47)37-19-27(42)40-28(31(36)44)23-14-9-7-10-15-23)38-32(45)26(18-21(2)3)39-33(46)29(24-16-11-8-12-17-24)41-35(48)49-20-22(4)5/h7,9-10,14-15,21-22,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,46)(H,40,42)(H,41,48)/t25?,26-,28-,29-/m0/s1
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66n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12304
PNG
(2-Methylpropyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-1-(...)
Show SMILES CC(C)COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H42N4O6/c1-13(2)12-36-24(35)29-20(25(3,4)5)23(34)30-11-15-17(26(15,6)7)18(30)22(33)28-16(10-14-8-9-14)19(31)21(27)32/h13-18,20H,8-12H2,1-7H3,(H2,27,32)(H,28,33)(H,29,35)/t15-,16?,17-,18-,20+/m0/s1
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70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12298
PNG
(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[1-[3-ami...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H44N4O6/c1-25(2,3)20(30-24(36)37-26(4,5)6)23(35)31-13-15-17(27(15,7)8)18(31)22(34)29-16(19(32)21(28)33)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,33)(H,29,34)(H,30,36)/t15-,16?,17-,18-,20+/m0/s1
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76n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12310
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)(C)[C@H](NC(=O)NC1(C)CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C26H41N5O5/c1-24(2,3)19(29-23(36)30-26(6)9-10-26)22(35)31-12-14-16(25(14,4)5)17(31)21(34)28-15(11-13-7-8-13)18(32)20(27)33/h13-17,19H,7-12H2,1-6H3,(H2,27,33)(H,28,34)(H2,29,30,36)/t14-,15?,16-,17-,19+/m0/s1
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80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12295
PNG
(1,1-Dimethylethyl-2-[(1R,5S)-2(S)-[[[3-amino-1-(cy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C31H42N4O6/c1-30(2,3)41-29(40)34-23(19-13-17-8-6-7-9-18(17)14-19)28(39)35-15-20-22(31(20,4)5)24(35)27(38)33-21(12-16-10-11-16)25(36)26(32)37/h6-9,16,19-24H,10-15H2,1-5H3,(H2,32,37)(H,33,38)(H,34,40)/t20-,21?,22-,23-,24-/m0/s1
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82n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12291
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[3-amino-1-(2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCO1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C28H44N4O7/c1-27(2,3)39-26(37)31-20(15-9-7-6-8-10-15)25(36)32-14-17-19(28(17,4)5)21(32)24(35)30-18(22(33)23(29)34)13-16-11-12-38-16/h15-21H,6-14H2,1-5H3,(H2,29,34)(H,30,35)(H,31,37)/t16?,17-,18?,19-,20-,21-/m0/s1
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90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12273
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@@H](C)C1CCCCC1 |r|
Show InChI InChI=1S/C37H61N5O7/c1-8-15-26(31(44)33(46)38-20-27(43)39-22(2)23-16-11-9-12-17-23)40-32(45)30-28-25(37(28,6)7)21-42(30)34(47)29(24-18-13-10-14-19-24)41-35(48)49-36(3,4)5/h22-26,28-30H,8-21H2,1-7H3,(H,38,46)(H,39,43)(H,40,45)(H,41,48)/t22-,25-,26?,28-,29-,30-/m0/s1
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92 -40.8n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9731
PNG
((2S)-2-(2-{3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbon...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H53N5O9/c1-7-14-24(29(42)32(45)36-20-26(41)39-28(33(46)47)23-17-12-9-13-18-23)37-30(43)25(19-21(2)3)38-31(44)27(22-15-10-8-11-16-22)40-34(48)49-35(4,5)6/h9,12-13,17-18,21-22,24-25,27-28H,7-8,10-11,14-16,19-20H2,1-6H3,(H,36,45)(H,37,43)(H,38,44)(H,39,41)(H,40,48)(H,46,47)/t24?,25-,27-,28-/m0/s1
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98n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12278
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C27H44N4O6/c1-7-11-17(21(32)22(28)33)29-23(34)20-18-16(27(18,5)6)14-31(20)24(35)19(15-12-9-8-10-13-15)30-25(36)37-26(2,3)4/h15-20H,7-14H2,1-6H3,(H2,28,33)(H,29,34)(H,30,36)/t16-,17?,18-,19-,20-/m0/s1
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100 -40.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12272
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)C1CCCCC1 |r|
Show InChI InChI=1S/C37H61N5O7/c1-8-15-26(31(44)33(46)38-20-27(43)39-22(2)23-16-11-9-12-17-23)40-32(45)30-28-25(37(28,6)7)21-42(30)34(47)29(24-18-13-10-14-19-24)41-35(48)49-36(3,4)5/h22-26,28-30H,8-21H2,1-7H3,(H,38,46)(H,39,43)(H,40,45)(H,41,48)/t22-,25+,26?,28+,29+,30+/m1/s1
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100 -40.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12294
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[3-amino-1-(c...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C27H42N4O6/c1-26(2,3)37-25(36)30-19(15-8-6-7-9-15)24(35)31-13-16-18(27(16,4)5)20(31)23(34)29-17(12-14-10-11-14)21(32)22(28)33/h14-20H,6-13H2,1-5H3,(H2,28,33)(H,29,34)(H,30,36)/t16-,17?,18-,19-,20-/m0/s1
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12313
PNG
((1R,5S)-3-[2(S)-[[[(1,1-dimethylethyl)methylamino]...)
Show SMILES CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C28H47N5O5/c1-26(2,3)21(31-25(38)32(9)27(4,5)6)24(37)33-14-16-18(28(16,7)8)19(33)23(36)30-17(20(34)22(29)35)13-15-11-10-12-15/h15-19,21H,10-14H2,1-9H3,(H2,29,35)(H,30,36)(H,31,38)/t16-,17?,18-,19-,21+/m0/s1
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12280
PNG
(3-[[[(1R,5S)-3-[(S)-cyclohexyl[[(1,1-dimethylethox...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(O)=O |r|
Show InChI InChI=1S/C27H43N3O7/c1-7-11-17(21(31)24(34)35)28-22(32)20-18-16(27(18,5)6)14-30(20)23(33)19(15-12-9-8-10-13-15)29-25(36)37-26(2,3)4/h15-20H,7-14H2,1-6H3,(H,28,32)(H,29,36)(H,34,35)/t16-,17?,18-,19-,20-/m0/s1
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110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9729
PNG
((2S)-2-(2-{3-[(2S)-2-[(2S)-2-cyclohexyl-2-{[(2-met...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H53N5O9/c1-6-13-25(30(42)33(45)36-19-27(41)39-29(34(46)47)24-16-11-8-12-17-24)37-31(43)26(18-21(2)3)38-32(44)28(23-14-9-7-10-15-23)40-35(48)49-20-22(4)5/h8,11-12,16-17,21-23,25-26,28-29H,6-7,9-10,13-15,18-20H2,1-5H3,(H,36,45)(H,37,43)(H,38,44)(H,39,41)(H,40,48)(H,46,47)/t25?,26-,28-,29-/m0/s1
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120n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12270
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCC1CC1 |r|
Show InChI InChI=1S/C33H53N5O7/c1-7-11-22(27(40)29(42)35-17-23(39)34-16-19-14-15-19)36-28(41)26-24-21(33(24,5)6)18-38(26)30(43)25(20-12-9-8-10-13-20)37-31(44)45-32(2,3)4/h19-22,24-26H,7-18H2,1-6H3,(H,34,39)(H,35,42)(H,36,41)(H,37,44)/t21-,22?,24-,25-,26-/m0/s1
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130 -40.0n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12306
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C25H41N5O5/c1-12(2)27-23(35)29-19(24(3,4)5)22(34)30-11-14-16(25(14,6)7)17(30)21(33)28-15(10-13-8-9-13)18(31)20(26)32/h12-17,19H,8-11H2,1-7H3,(H2,26,32)(H,28,33)(H2,27,29,35)/t14-,15?,16-,17-,19+/m0/s1
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140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12302
PNG
(1-Methylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-1-(c...)
Show SMILES CC(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C25H40N4O6/c1-12(2)35-23(34)28-19(24(3,4)5)22(33)29-11-14-16(25(14,6)7)17(29)21(32)27-15(10-13-8-9-13)18(30)20(26)31/h12-17,19H,8-11H2,1-7H3,(H2,26,31)(H,27,32)(H,28,34)/t14-,15?,16-,17-,19+/m0/s1
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150n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12288
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[3-amino-1-(c...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCCC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C30H48N4O6/c1-29(2,3)40-28(39)33-22(18-13-7-6-8-14-18)27(38)34-16-19-21(30(19,4)5)23(34)26(37)32-20(24(35)25(31)36)15-17-11-9-10-12-17/h17-23H,6-16H2,1-5H3,(H2,31,36)(H,32,37)(H,33,39)/t19-,20?,21-,22-,23-/m0/s1
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150n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12283
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC=C)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C28H44N4O6/c1-7-8-14-18(22(33)23(29)34)30-24(35)21-19-17(28(19,5)6)15-32(21)25(36)20(16-12-10-9-11-13-16)31-26(37)38-27(2,3)4/h7,16-21H,1,8-15H2,2-6H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1
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150n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12293
PNG
(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C25H40N4O6/c1-12(2)17(28-23(34)35-24(3,4)5)22(33)29-11-14-16(25(14,6)7)18(29)21(32)27-15(10-13-8-9-13)19(30)20(26)31/h12-18H,8-11H2,1-7H3,(H2,26,31)(H,27,32)(H,28,34)/t14-,15?,16-,17-,18-/m0/s1
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210n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12301
PNG
(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)O |r|
Show InChI InChI=1S/C26H42N4O7/c1-24(2,3)37-23(35)29-19(26(6,7)36)22(34)30-12-14-16(25(14,4)5)17(30)21(33)28-15(18(31)20(27)32)11-13-9-8-10-13/h13-17,19,36H,8-12H2,1-7H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15?,16-,17-,19+/m0/s1
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220n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12296
PNG
(1,1-Dimethylethyl-[2-[-[(1R,5S)-2(S)-[[[3-amino-1-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C32H44N4O6/c1-31(2,3)42-30(41)35-24(20-14-18-11-6-7-12-19(18)15-20)29(40)36-16-21-23(32(21,4)5)25(36)28(39)34-22(26(37)27(33)38)13-17-9-8-10-17/h6-7,11-12,17,20-25H,8-10,13-16H2,1-5H3,(H2,33,38)(H,34,39)(H,35,41)/t21-,22?,23-,24-,25-/m0/s1
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270n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12276
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C30H48N4O6/c1-8-13-20(24(35)26(37)31-16-9-2)32-25(36)23-21-19(30(21,6)7)17-34(23)27(38)22(18-14-11-10-12-15-18)33-28(39)40-29(3,4)5/h9,18-23H,2,8,10-17H2,1,3-7H3,(H,31,37)(H,32,36)(H,33,39)/t19-,20?,21-,22-,23-/m0/s1
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280 -38.0n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9725
PNG
(2-methylpropyl N-[(S)-{[(1S)-1-({1-[({[(1S)-1-carb...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C33H58N6O8/c1-7-9-16-24(29(34)42)36-26(40)18-35-32(45)28(41)23(13-8-2)37-30(43)25(17-20(3)4)38-31(44)27(22-14-11-10-12-15-22)39-33(46)47-19-21(5)6/h20-25,27H,7-19H2,1-6H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,43)(H,38,44)(H,39,46)/t23?,24-,25-,27-/m0/s1
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280n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12299
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[3-amino-1-(c...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1(C)CC1 |r|
Show InChI InChI=1S/C26H40N4O6/c1-24(2,3)36-23(35)29-19(26(6)9-10-26)22(34)30-12-14-16(25(14,4)5)17(30)21(33)28-15(11-13-7-8-13)18(31)20(27)32/h13-17,19H,7-12H2,1-6H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15?,16-,17-,19+/m0/s1
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300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12303
PNG
(Cyclopropyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-1-(cyc...)
Show SMILES CC(C)(C)[C@H](NC(=O)OC1CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C25H38N4O6/c1-24(2,3)19(28-23(34)35-13-8-9-13)22(33)29-11-14-16(25(14,4)5)17(29)21(32)27-15(10-12-6-7-12)18(30)20(26)31/h12-17,19H,6-11H2,1-5H3,(H2,26,31)(H,27,32)(H,28,34)/t14-,15?,16-,17-,19+/m0/s1
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300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12284
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CC(=C)CC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C28H44N4O6/c1-15(2)13-18(22(33)23(29)34)30-24(35)21-19-17(28(19,6)7)14-32(21)25(36)20(16-11-9-8-10-12-16)31-26(37)38-27(3,4)5/h16-21H,1,8-14H2,2-7H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1
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300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9726
PNG
((2S)-2-(2-{3-[(2S)-2-[(2S)-2-cyclohexyl-2-{[(2-met...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](C1CCCC1)C(O)=O |r|
Show InChI InChI=1S/C34H57N5O9/c1-6-12-24(29(41)32(44)35-18-26(40)38-28(33(45)46)23-15-10-11-16-23)36-30(42)25(17-20(2)3)37-31(43)27(22-13-8-7-9-14-22)39-34(47)48-19-21(4)5/h20-25,27-28H,6-19H2,1-5H3,(H,35,44)(H,36,42)(H,37,43)(H,38,40)(H,39,47)(H,45,46)/t24?,25-,27-,28-/m0/s1
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330n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9719
PNG
(2-methylpropyl N-[(1S)-2-[(2S)-2-({1-[({[(S)-carba...)
Show SMILES CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H50N6O8/c1-4-12-24(29(42)32(45)36-19-26(41)38-27(30(35)43)22-13-7-5-8-14-22)37-31(44)25-17-11-18-40(25)33(46)28(23-15-9-6-10-16-23)39-34(47)48-20-21(2)3/h5,7-8,13-14,21,23-25,27-28H,4,6,9-12,15-20H2,1-3H3,(H2,35,43)(H,36,45)(H,37,44)(H,38,41)(H,39,47)/t24?,25-,27-,28-/m0/s1
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360n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12290
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[3-amino-1-(3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1COC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C28H44N4O7/c1-27(2,3)39-26(37)31-20(16-9-7-6-8-10-16)25(36)32-12-17-19(28(17,4)5)21(32)24(35)30-18(22(33)23(29)34)11-15-13-38-14-15/h15-21H,6-14H2,1-5H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1
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400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12285
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CC(C)CC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C28H46N4O6/c1-15(2)13-18(22(33)23(29)34)30-24(35)21-19-17(28(19,6)7)14-32(21)25(36)20(16-11-9-8-10-12-16)31-26(37)38-27(3,4)5/h15-21H,8-14H2,1-7H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1
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400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9720
PNG
(P3-capped alpha-ketoamide inhibitor 35)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](COC(C)(C)C)C(N)=O |r|
Show InChI InChI=1S/C34H60N6O9/c1-9-13-23(28(42)32(46)36-17-26(41)37-25(29(35)43)19-49-34(6,7)8)38-30(44)24(16-20(2)3)39-31(45)27(22-14-11-10-12-15-22)40-33(47)48-18-21(4)5/h20-25,27H,9-19H2,1-8H3,(H2,35,43)(H,36,46)(H,37,41)(H,38,44)(H,39,45)(H,40,47)/t23?,24-,25-,27-/m0/s1
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460n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9730
PNG
(P3-capped alpha-ketoamide inhibitor 46 | benzyl (2...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OCc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H59N5O9/c1-7-17-31(44-37(50)32(24-27(2)3)45-38(51)34(29-20-13-9-14-21-29)47-41(54)56-42(4,5)6)36(49)39(52)43-25-33(48)46-35(30-22-15-10-16-23-30)40(53)55-26-28-18-11-8-12-19-28/h8,10-12,15-16,18-19,22-23,27,29,31-32,34-35H,7,9,13-14,17,20-21,24-26H2,1-6H3,(H,43,52)(H,44,50)(H,45,51)(H,46,48)(H,47,54)/t31?,32-,34-,35-/m0/s1
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600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9728
PNG
(P3-capped alpha-ketoamide inhibitor 44 | tert-buty...)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C39H61N5O9/c1-9-16-28(33(46)36(49)40-22-30(45)43-32(27-19-14-11-15-20-27)37(50)53-39(6,7)8)41-34(47)29(21-24(2)3)42-35(48)31(26-17-12-10-13-18-26)44-38(51)52-23-25(4)5/h11,14-15,19-20,24-26,28-29,31-32H,9-10,12-13,16-18,21-23H2,1-8H3,(H,40,49)(H,41,47)(H,42,48)(H,43,45)(H,44,51)/t28?,29-,31-,32-/m0/s1
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650n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair
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