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Compile Data Set for Download or QSAR

Found 16 hits of ic50 for UniProtKB: P03303   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Human rhinovirus 14)
BDBM50455106
PNG
(CHEMBL4216095)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CCCO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12|
Show InChI InChI=1S/C31H38FN5O7/c1-20-16-27(36-44-20)31(42)34-25-6-4-2-3-5-15-43-24-13-14-37(18-24)28(39)12-11-23(19-38)33-30(41)26(35-29(25)40)17-21-7-9-22(32)10-8-21/h2,4,7-10,16,19,23-26H,3,5-6,11-15,17-18H2,1H3,(H,33,41)(H,34,42)(H,35,40)/b4-2+/t23-,24-,25-,26-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455115
PNG
(CHEMBL4202932)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C29H35FN6O7/c1-17-13-24(35-43-17)29(42)33-22-3-2-11-31-26(39)19-10-12-36(15-19)25(38)9-8-21(16-37)32-28(41)23(34-27(22)40)14-18-4-6-20(30)7-5-18/h4-7,13,16,19,21-23H,2-3,8-12,14-15H2,1H3,(H,31,39)(H,32,41)(H,33,42)(H,34,40)/t19-,21-,22-,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455107
PNG
(CHEMBL4212167)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)C[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C28H33FN6O7/c1-16-11-22(34-42-16)27(40)33-23-14-30-24(37)13-20-3-2-10-35(20)25(38)9-8-19(15-36)31-26(39)21(32-28(23)41)12-17-4-6-18(29)7-5-17/h4-7,11,15,19-21,23H,2-3,8-10,12-14H2,1H3,(H,30,37)(H,31,39)(H,32,41)(H,33,40)/t19-,20+,21-,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455105
PNG
(CHEMBL4218384)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12|
Show InChI InChI=1S/C29H34FN5O7/c1-18-14-25(34-42-18)29(40)32-23-4-2-3-13-41-22-11-12-35(16-22)26(37)10-9-21(17-36)31-28(39)24(33-27(23)38)15-19-5-7-20(30)8-6-19/h2-3,5-8,14,17,21-24H,4,9-13,15-16H2,1H3,(H,31,39)(H,32,40)(H,33,38)/b3-2+/t21-,22-,23-,24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455114
PNG
(CHEMBL4207862)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C27H31FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,14,18-19,21-22H,2-3,8-10,12-13H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455112
PNG
(CHEMBL4215964)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CNC(C)=O)C=O |r|
Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23?,24-,25-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455113
PNG
(CHEMBL4212963)
Show SMILES CN1Cc2cccc(c2)[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r|
Show InChI InChI=1S/C29H30FN5O6/c1-17-12-24(34-41-17)28(39)33-26-20-5-3-4-19(13-20)15-35(2)25(37)11-10-22(16-36)31-27(38)23(32-29(26)40)14-18-6-8-21(30)9-7-18/h3-9,12-13,16,22-23,26H,10-11,14-15H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)/t22-,23-,26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455111
PNG
(CHEMBL4217566)
Show SMILES CN1CC(=O)NC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r|
Show InChI InChI=1S/C25H29FN6O7/c1-14-9-19(31-39-14)24(37)30-20-11-27-21(34)12-32(2)22(35)8-7-17(13-33)28-23(36)18(29-25(20)38)10-15-3-5-16(26)6-4-15/h3-6,9,13,17-18,20H,7-8,10-12H2,1-2H3,(H,27,34)(H,28,36)(H,29,38)(H,30,37)/t17-,18-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455110
PNG
(CHEMBL4203502)
Show SMILES CN1CCCC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C(=O)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C30H37FN6O7/c1-18-16-24(35-44-18)29(42)33-22-6-3-4-13-36(2)25(38)12-11-21(26(39)30(43)37-14-5-15-37)32-28(41)23(34-27(22)40)17-19-7-9-20(31)10-8-19/h7-10,16,21-23H,3-6,11-15,17H2,1-2H3,(H,32,41)(H,33,42)(H,34,40)/t21-,22-,23-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455104
PNG
(CHEMBL4211003)
Show SMILES CN1CCCC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r|
Show InChI InChI=1S/C26H32FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,15,19-21H,3-5,10-12,14H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455108
PNG
(CHEMBL4207281)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1c2cccc(CNC(=O)CC[C@H](NC(=O)[C@H](Cc3ccc(F)cc3)NC1=O)C=O)c2 |r|
Show InChI InChI=1S/C28H28FN5O6/c1-16-11-23(34-40-16)27(38)33-25-19-4-2-3-18(12-19)14-30-24(36)10-9-21(15-35)31-26(37)22(32-28(25)39)13-17-5-7-20(29)8-6-17/h2-8,11-12,15,21-22,25H,9-10,13-14H2,1H3,(H,30,36)(H,31,37)(H,32,39)(H,33,38)/t21-,22-,25-/m0/s1
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n/an/a 753n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50462014
PNG
(CHEMBL4224853)
Show SMILES COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O |c:7|
Show InChI InChI=1S/C17H10ClNO6/c1-24-9-6-7-13(12(8-9)19(22)23)25-17-14(18)15(20)10-4-2-3-5-11(10)16(17)21/h2-8H,1H3
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n/an/a 850n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human rhinovirus protease 3C using fluorogenic-Dabcyl-KTSAVLQSGFRKME-Edan as substrate after 5 mins by FRET assay


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


Article DOI: 10.1016/j.bmcl.2018.05.046
BindingDB Entry DOI: 10.7270/Q2HT2S0T
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455102
PNG
(CHEMBL4206628)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C25H30FN5O6/c1-15-12-21(31-37-15)25(36)29-19-4-2-3-11-27-22(33)10-9-18(14-32)28-24(35)20(30-23(19)34)13-16-5-7-17(26)8-6-16/h5-8,12,14,18-20H,2-4,9-11,13H2,1H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,20-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455109
PNG
(CHEMBL4207200)
Show SMILES CCOC(=O)\C=C\[C@@H]1CCC(=O)N(C)CCCC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N1 |r|
Show InChI InChI=1S/C30H38FN5O7/c1-4-42-27(38)15-13-22-12-14-26(37)36(3)16-6-5-7-23(33-30(41)25-17-19(2)43-35-25)28(39)34-24(29(40)32-22)18-20-8-10-21(31)11-9-20/h8-11,13,15,17,22-24H,4-7,12,14,16,18H2,1-3H3,(H,32,40)(H,33,41)(H,34,39)/b15-13+/t22-,23-,24-/m0/s1
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n/an/a 3.84E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455103
PNG
(CHEMBL4202850)
Show SMILES CN1CCCC[C@H](NC(=O)c2cc(C)on2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CCC1=O)C=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O6/c1-18-14-23(31-39-18)26(36)30-22-10-6-7-13-32(2)25(35)12-11-21(17-34)29-27(37)24-15-20(16-33(24)28(22)38)19-8-4-3-5-9-19/h3-5,8-9,14,17,20-22,24H,6-7,10-13,15-16H2,1-2H3,(H,29,37)(H,30,36)/t20-,21+,22+,24+/m1/s1
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n/an/a 7.37E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50462026
PNG
(CHEMBL4229177)
Show SMILES Cc1nc2c([nH]1)C(=O)C(Cl)=C(Nc1cc(F)cc(F)c1)C2=O |t:10|
Show InChI InChI=1S/C14H8ClF2N3O2/c1-5-18-11-12(19-5)14(22)10(9(15)13(11)21)20-8-3-6(16)2-7(17)4-8/h2-4,20H,1H3,(H,18,19)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human rhinovirus protease 3C using fluorogenic-Dabcyl-KTSAVLQSGFRKME-Edan as substrate after 5 mins by FRET assay


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


Article DOI: 10.1016/j.bmcl.2018.05.046
BindingDB Entry DOI: 10.7270/Q2HT2S0T
More data for this
Ligand-Target Pair