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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'barket' and Initial = 'd'   
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


(Human rhinovirus B)
BDBM50137724
PNG
((3aR,5S)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyraz...)
Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H45N7O7/c1-6-10-24(30(44)34(48)38-21-11-8-7-9-12-21)39-33(47)29-22-13-14-26(43)23(22)18-42(29)35(49)28(20(4)5)41-32(46)27(19(2)3)40-31(45)25-17-36-15-16-37-25/h7-9,11-12,15-17,19-20,22-24,27-29H,6,10,13-14,18H2,1-5H3,(H,38,48)(H,39,47)(H,40,45)(H,41,46)/t22-,23-,24?,27-,28-,29?/m0/s1
PDB
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UniProtKB/TrEMBL

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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137721
PNG
(2-(3-{[(1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H51N7O8/c1-6-11-26(32(46)36(50)42-27(38(52)53)18-23-12-8-7-9-13-23)41-35(49)31-25-15-10-14-24(25)20-45(31)37(51)30(22(4)5)44-34(48)29(21(2)3)43-33(47)28-19-39-16-17-40-28/h7-9,12-13,16-17,19,21-22,24-27,29-31H,6,10-11,14-15,18,20H2,1-5H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,52,53)/t24-,25-,26?,27-,29-,30-,31-/m0/s1
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UniProtKB/TrEMBL

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68n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137713
PNG
((S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H50FN7O8/c1-6-10-26(32(47)36(51)43-27(38(53)54)17-22-11-8-7-9-12-22)42-35(50)31-23-13-14-25(39)24(23)19-46(31)37(52)30(21(4)5)45-34(49)29(20(2)3)44-33(48)28-18-40-15-16-41-28/h7-9,11-12,15-16,18,20-21,23-27,29-31H,6,10,13-14,17,19H2,1-5H3,(H,42,50)(H,43,51)(H,44,48)(H,45,49)(H,53,54)/t23-,24-,25-,26?,27-,29-,30-,31-/m0/s1
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82n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137718
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10|
Show InChI InChI=1S/C32H45N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h7,9,13-15,17-22,24-26H,6,8,10-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1
PDB
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UniProtKB/TrEMBL

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90n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137720
PNG
((1S,3aR,6aS)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(p...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H47N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h13-15,17-22,24-26H,6-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1
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123n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137722
PNG
((S)-2-(3-{[(1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H49F2N7O8/c1-6-10-25(31(48)35(52)44-26(37(54)55)17-22-11-8-7-9-12-22)43-34(51)30-23-13-14-38(39,40)24(23)19-47(30)36(53)29(21(4)5)46-33(50)28(20(2)3)45-32(49)27-18-41-15-16-42-27/h7-9,11-12,15-16,18,20-21,23-26,28-30H,6,10,13-14,17,19H2,1-5H3,(H,43,51)(H,44,52)(H,45,49)(H,46,50)(H,54,55)/t23-,24-,25?,26-,28-,29-,30-/m0/s1
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176n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137717
PNG
((1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methy...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H46FN7O6/c1-6-7-22(27(41)31(45)36-18-8-9-18)37-30(44)26-19-10-11-21(33)20(19)15-40(26)32(46)25(17(4)5)39-29(43)24(16(2)3)38-28(42)23-14-34-12-13-35-23/h12-14,16-22,24-26H,6-11,15H2,1-5H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,20-,21-,22?,24-,25-,26-/m0/s1
PDB
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300n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137727
PNG
((1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methy...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C37H50FN7O6/c1-7-11-27(32(46)36(50)41-22(6)23-12-9-8-10-13-23)42-35(49)31-24-14-15-26(38)25(24)19-45(31)37(51)30(21(4)5)44-34(48)29(20(2)3)43-33(47)28-18-39-16-17-40-28/h8-10,12-13,16-18,20-22,24-27,29-31H,7,11,14-15,19H2,1-6H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t22-,24-,25-,26-,27?,29-,30-,31-/m0/s1
PDB
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UniProtKB/TrEMBL

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315n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137723
PNG
((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C39H55N7O8/c1-8-12-28(34(47)38(51)42-24(6)25-13-10-9-11-14-25)43-37(50)33-26-15-16-30(54-21-53-7)27(26)20-46(33)39(52)32(23(4)5)45-36(49)31(22(2)3)44-35(48)29-19-40-17-18-41-29/h9-11,13-14,17-19,22-24,26-28,30-33H,8,12,15-16,20-21H2,1-7H3,(H,42,51)(H,43,50)(H,44,48)(H,45,49)/t24-,26-,27?,28?,30+,31-,32-,33-/m0/s1
PDB
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332n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137719
PNG
((1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl-2-{(S)-3-m...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H45F2N7O6/c1-6-7-21(26(42)30(46)37-18-8-9-18)38-29(45)25-19-10-11-32(33,34)20(19)15-41(25)31(47)24(17(4)5)40-28(44)23(16(2)3)39-27(43)22-14-35-12-13-36-22/h12-14,16-21,23-25H,6-11,15H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t19-,20-,21?,23-,24-,25-/m0/s1
PDB
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370n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137725
PNG
((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C34H51N7O8/c1-7-8-23(29(42)33(46)37-20-9-10-20)38-32(45)28-21-11-12-25(49-17-48-6)22(21)16-41(28)34(47)27(19(4)5)40-31(44)26(18(2)3)39-30(43)24-15-35-13-14-36-24/h13-15,18-23,25-28H,7-12,16-17H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t21-,22?,23?,25+,26-,27-,28-/m0/s1
PDB
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UniProtKB/TrEMBL

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415n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137728
PNG
((5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazi...)
Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H45N7O7/c1-6-7-21(27(41)31(45)35-18-8-9-18)36-30(44)26-19-10-11-23(40)20(19)15-39(26)32(46)25(17(4)5)38-29(43)24(16(2)3)37-28(42)22-14-33-12-13-34-22/h12-14,16-21,24-26H,6-11,15H2,1-5H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)/t19-,20-,21?,24-,25-,26?/m0/s1
PDB
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UniProtKB/TrEMBL

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510n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137714
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)CC |c:10|
Show InChI InChI=1S/C33H49N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h10,12,14-16,18-23,25-27H,8-9,11,13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20-,21-,22-,23?,25-,26-,27-/m0/s1
PDB
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625n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137716
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 |c:10|
Show InChI InChI=1S/C37H49N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-11,13-15,17-19,21-23,25-27,29-31H,7,12,16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1
PDB
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UniProtKB/TrEMBL

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880n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137726
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)CC
Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20-,21-,22-,23?,25-,26-,27-/m0/s1
PDB
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UniProtKB/TrEMBL

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1.80E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137715
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137715
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137720
PNG
((1S,3aR,6aS)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(p...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H47N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h13-15,17-22,24-26H,6-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Protease using replicon assay in rats at 25 microM concentration


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137723
PNG
((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C39H55N7O8/c1-8-12-28(34(47)38(51)42-24(6)25-13-10-9-11-14-25)43-37(50)33-26-15-16-30(54-21-53-7)27(26)20-46(33)39(52)32(23(4)5)45-36(49)31(22(2)3)44-35(48)29-19-40-17-18-41-29/h9-11,13-14,17-19,22-24,26-28,30-33H,8,12,15-16,20-21H2,1-7H3,(H,42,51)(H,43,50)(H,44,48)(H,45,49)/t24-,26-,27?,28?,30+,31-,32-,33-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity of the compound against Protease in rat liver Huh-7 cells at 100 microM concentration


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137713
PNG
((S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H50FN7O8/c1-6-10-26(32(47)36(51)43-27(38(53)54)17-22-11-8-7-9-12-22)42-35(50)31-23-13-14-25(39)24(23)19-46(31)37(52)30(21(4)5)45-34(49)29(20(2)3)44-33(48)28-18-40-15-16-41-28/h7-9,11-12,15-16,18,20-21,23-27,29-31H,6,10,13-14,17,19H2,1-5H3,(H,42,50)(H,43,51)(H,44,48)(H,45,49)(H,53,54)/t23-,24-,25-,26?,27-,29-,30-,31-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137722
PNG
((S)-2-(3-{[(1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H49F2N7O8/c1-6-10-25(31(48)35(52)44-26(37(54)55)17-22-11-8-7-9-12-22)43-34(51)30-23-13-14-38(39,40)24(23)19-47(30)36(53)29(21(4)5)46-33(50)28(20(2)3)45-32(49)27-18-41-15-16-42-27/h7-9,11-12,15-16,18,20-21,23-26,28-30H,6,10,13-14,17,19H2,1-5H3,(H,43,51)(H,44,52)(H,45,49)(H,46,50)(H,54,55)/t23-,24-,25?,26-,28-,29-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137720
PNG
((1S,3aR,6aS)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(p...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H47N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h13-15,17-22,24-26H,6-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Protease using replicon assay in rats at 25 microM concentration


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137715
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137717
PNG
((1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methy...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H46FN7O6/c1-6-7-22(27(41)31(45)36-18-8-9-18)37-30(44)26-19-10-11-21(33)20(19)15-40(26)32(46)25(17(4)5)39-29(43)24(16(2)3)38-28(42)23-14-34-12-13-35-23/h12-14,16-22,24-26H,6-11,15H2,1-5H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,20-,21-,22?,24-,25-,26-/m0/s1
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137719
PNG
((1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl-2-{(S)-3-m...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H45F2N7O6/c1-6-7-21(26(42)30(46)37-18-8-9-18)38-29(45)25-19-10-11-32(33,34)20(19)15-41(25)31(47)24(17(4)5)40-28(44)23(16(2)3)39-27(43)22-14-35-12-13-36-22/h12-14,16-21,23-25H,6-11,15H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t19-,20-,21?,23-,24-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137726
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)CC
Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20-,21-,22-,23?,25-,26-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137725
PNG
((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C34H51N7O8/c1-7-8-23(29(42)33(46)37-20-9-10-20)38-32(45)28-21-11-12-25(49-17-48-6)22(21)16-41(28)34(47)27(19(4)5)40-31(44)26(18(2)3)39-30(43)24-15-35-13-14-36-24/h13-15,18-23,25-28H,7-12,16-17H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t21-,22?,23?,25+,26-,27-,28-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137718
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10|
Show InChI InChI=1S/C32H45N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h7,9,13-15,17-22,24-26H,6,8,10-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137721
PNG
(2-(3-{[(1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H51N7O8/c1-6-11-26(32(46)36(50)42-27(38(52)53)18-23-12-8-7-9-13-23)41-35(49)31-25-15-10-14-24(25)20-45(31)37(51)30(22(4)5)44-34(48)29(21(2)3)43-33(47)28-19-39-16-17-40-28/h7-9,12-13,16-17,19,21-22,24-27,29-31H,6,10-11,14-15,18,20H2,1-5H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,52,53)/t24-,25-,26?,27-,29-,30-,31-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137724
PNG
((3aR,5S)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyraz...)
Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H45N7O7/c1-6-10-24(30(44)34(48)38-21-11-8-7-9-12-21)39-33(47)29-22-13-14-26(43)23(22)18-42(29)35(49)28(20(4)5)41-32(46)27(19(2)3)40-31(45)25-17-36-15-16-37-25/h7-9,11-12,15-17,19-20,22-24,27-29H,6,10,13-14,18H2,1-5H3,(H,38,48)(H,39,47)(H,40,45)(H,41,46)/t22-,23-,24?,27-,28-,29?/m0/s1
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UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137728
PNG
((5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazi...)
Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C32H45N7O7/c1-6-7-21(27(41)31(45)35-18-8-9-18)36-30(44)26-19-10-11-23(40)20(19)15-39(26)32(46)25(17(4)5)38-29(43)24(16(2)3)37-28(42)22-14-33-12-13-34-22/h12-14,16-21,24-26H,6-11,15H2,1-5H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)/t19-,20-,21?,24-,25-,26?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity against Protease in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 251-6 (2003)


BindingDB Entry DOI: 10.7270/Q24B30R9
More data for this
Ligand-Target Pair