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Compile Data Set for Download or QSAR

Found 1768 hits with Last Name = 'little' and Initial = 'tl'   
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)
BDBM50065588
PNG
(CHEMBL96803 | [(S)-1-((S)-1-{(S)-1-Formyl-2-[(isox...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccno1)C=O
Show InChI InChI=1S/C30H35N5O7/c1-20(2)15-24(35-30(40)41-19-22-11-7-4-8-12-22)28(38)34-25(16-21-9-5-3-6-10-21)27(37)33-23(18-36)17-31-29(39)26-13-14-32-42-26/h3-14,18,20,23-25H,15-17,19H2,1-2H3,(H,31,39)(H,33,37)(H,34,38)(H,35,40)/t23-,24-,25-/m0/s1
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5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065603
PNG
(CHEMBL96185 | {(S)-1-[(S)-1-((S)-1-Formyl-3-methan...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C=O
Show InChI InChI=1S/C28H37N3O6S/c1-20(2)16-24(31-28(35)37-19-22-12-8-5-9-13-22)27(34)30-25(17-21-10-6-4-7-11-21)26(33)29-23(18-32)14-15-38(3)36/h4-13,18,20,23-25H,14-17,19H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t23-,24-,25-,38?/m0/s1
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5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065598
PNG
(CHEMBL419332 | {(S)-1-[(S)-1-((S)-3-Dimethylcarbam...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C=O
Show InChI InChI=1S/C30H40N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,19,21,24-26H,15-18,20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1
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5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065590
PNG
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O
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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6n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065586
PNG
(((S)-3-Methyl-1-{(S)-1-[(S)-2-oxo-1-(propionylamin...)
Show SMILES CCC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H38N4O6/c1-4-26(35)30-17-23(18-34)31-27(36)25(16-21-11-7-5-8-12-21)32-28(37)24(15-20(2)3)33-29(38)39-19-22-13-9-6-10-14-22/h5-14,18,20,23-25H,4,15-17,19H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t23-,24-,25-/m0/s1
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7n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065595
PNG
(((S)-1-{(S)-1-[(S)-2-(3,3-Dimethyl-ureido)-1-formy...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)N(C)C)C=O
Show InChI InChI=1S/C29H39N5O6/c1-20(2)15-24(33-29(39)40-19-22-13-9-6-10-14-22)27(37)32-25(16-21-11-7-5-8-12-21)26(36)31-23(18-35)17-30-28(38)34(3)4/h5-14,18,20,23-25H,15-17,19H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,33,39)/t23-,24-,25-/m0/s1
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10n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065599
PNG
(CHEMBL94652 | {(S)-1-[(S)-1-((S)-2-Benzoylamino-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccccc1)C=O
Show InChI InChI=1S/C33H38N4O6/c1-23(2)18-28(37-33(42)43-22-25-14-8-4-9-15-25)32(41)36-29(19-24-12-6-3-7-13-24)31(40)35-27(21-38)20-34-30(39)26-16-10-5-11-17-26/h3-17,21,23,27-29H,18-20,22H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t27-,28-,29-/m0/s1
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12n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065601
PNG
(CHEMBL95031 | {(S)-1-[(S)-1-((S)-1-Formyl-2-isobut...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(C)C)C=O
Show InChI InChI=1S/C30H40N4O6/c1-20(2)15-25(34-30(39)40-19-23-13-9-6-10-14-23)29(38)33-26(16-22-11-7-5-8-12-22)28(37)32-24(18-35)17-31-27(36)21(3)4/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1
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18n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065590
PNG
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O
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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36n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against HRV-16 3C protease


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065591
PNG
(((S)-1-{(S)-1-[(S)-1-Formyl-3-(trityl-carbamoyl)-p...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C=O
Show InChI InChI=1S/C47H50N4O6/c1-34(2)30-41(50-46(56)57-33-36-20-10-4-11-21-36)45(55)49-42(31-35-18-8-3-9-19-35)44(54)48-40(32-52)28-29-43(53)51-47(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-27,32,34,40-42H,28-31,33H2,1-2H3,(H,48,54)(H,49,55)(H,50,56)(H,51,53)/t40-,41-,42-/m0/s1
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40n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065596
PNG
(((S)-1-{(S)-1-[(S)-1-Formyl-2-(2-oxo-pyrrolidin-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN1CCCC1=O)C=O
Show InChI InChI=1S/C30H38N4O6/c1-21(2)16-25(33-30(39)40-20-23-12-7-4-8-13-23)29(38)32-26(17-22-10-5-3-6-11-22)28(37)31-24(19-35)18-34-15-9-14-27(34)36/h3-8,10-13,19,21,24-26H,9,14-18,20H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1
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52n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065594
PNG
(((S)-1-{(S)-1-[(S)-1-(tert-Butoxycarbonylamino-met...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C31H42N4O7/c1-21(2)16-25(35-30(40)41-20-23-14-10-7-11-15-23)28(38)34-26(17-22-12-8-6-9-13-22)27(37)33-24(19-36)18-32-29(39)42-31(3,4)5/h6-15,19,21,24-26H,16-18,20H2,1-5H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t24-,25-,26-/m0/s1
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66n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065590
PNG
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O
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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69n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against HRV-2 3C protease


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065589
PNG
(CHEMBL95120 | {(S)-1-[(S)-1-((S)-1-Formylaminometh...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC=O)C=O
Show InChI InChI=1S/C27H34N4O6/c1-19(2)13-23(31-27(36)37-17-21-11-7-4-8-12-21)26(35)30-24(14-20-9-5-3-6-10-20)25(34)29-22(16-32)15-28-18-33/h3-12,16,18-19,22-24H,13-15,17H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t22-,23-,24-/m0/s1
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73n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065597
PNG
(((S)-1-{(S)-1-[(S)-1-(Methoxycarbonylamino-methyl)...)
Show SMILES COC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C28H36N4O7/c1-19(2)14-23(32-28(37)39-18-21-12-8-5-9-13-21)26(35)31-24(15-20-10-6-4-7-11-20)25(34)30-22(17-33)16-29-27(36)38-3/h4-13,17,19,22-24H,14-16,18H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)(H,32,37)/t22-,23-,24-/m0/s1
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132n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065593
PNG
(((S)-1-{(S)-1-[(S)-1-Formyl-2-(2,2,2-trifluoro-ace...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(F)(F)F)C=O
Show InChI InChI=1S/C28H33F3N4O6/c1-18(2)13-22(35-27(40)41-17-20-11-7-4-8-12-20)25(38)34-23(14-19-9-5-3-6-10-19)24(37)33-21(16-36)15-32-26(39)28(29,30)31/h3-12,16,18,21-23H,13-15,17H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t21-,22-,23-/m0/s1
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146n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065590
PNG
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O
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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160n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against HRV-89 3C protease


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065587
PNG
(CHEMBL97090 | {(S)-1-[(S)-1-((S)-3-Cyano-1-formyl-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC#N)C=O
Show InChI InChI=1S/C28H34N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14,16-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,24-,25-/m0/s1
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190n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50065600
PNG
(((S)-1-{(S)-1-[(S)-2-(Acetyl-methyl-amino)-1-formy...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN(C)C(C)=O)C=O
Show InChI InChI=1S/C29H38N4O6/c1-20(2)15-25(32-29(38)39-19-23-13-9-6-10-14-23)28(37)31-26(16-22-11-7-5-8-12-22)27(36)30-24(18-34)17-33(4)21(3)35/h5-14,18,20,24-26H,15-17,19H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)/t24-,25-,26-/m0/s1
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469n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HRV-14 3C protease.


J Med Chem 41: 2786-805 (1998)


Article DOI: 10.1021/jm980071x
BindingDB Entry DOI: 10.7270/Q2F76BPF
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604241
PNG
(Preparation of (2R,4S)-2-(((S)-1-((4-carbamimidoyl...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CC[N+]1(C)C)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604242
PNG
(Preparation of ethyl 3-((2R,4S)-2-(((S)-1-((4-carb...)
Show SMILES CCOC(=O)CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604243
PNG
(Preparation of 3-((2R,4S)-2-(((S)-1-((4-carbamimid...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCC(O)=O)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604244
PNG
(US11661418, Compound I-15)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCP(O)(O)=O)c1ccccc1)C(=O)NCc1cc2cnccc2[nH]1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604245
PNG
(US11661418, Compound I-16)
Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(N)nc1C)c1ccccc1 |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604246
PNG
(Preparation of (S)—N-(4-carbamimidoylbenzyl)-1-((2...)
Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604249
PNG
(Preparation of (2R,4S)—N—((S)-1-((4-carbamimidoylb...)
Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604250
PNG
(Preparation of (2R,4S)-4-(3-(1H-pyrazol-1-yl)pheny...)
Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1cccc(c1)-n1cccn1 |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604251
PNG
(Preparation of (2R,4S)—N—((S)-1-(((5-((Z)—N-hydrox...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1)c1ccccc1)C(=O)NCc1ccc(s1)C(\N)=N\O |r|
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BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595060
PNG
(US11584714, Compound 1088)
Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2c(N)nccc2c1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595060
PNG
(US11584714, Compound 1088)
Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2c(N)nccc2c1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595062
PNG
(US11584714, Compound 1090)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@@H](CN1)c1ccccc1)C(=O)NCc1ccc2c(N)nccc2c1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595062
PNG
(US11584714, Compound 1090)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@@H](CN1)c1ccccc1)C(=O)NCc1ccc2c(N)nccc2c1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595063
PNG
(US11584714, Compound 1091)
Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2nc(N)ccc2c1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595064
PNG
(US11584714, Compound 1092)
Show SMILES C[C@H](NC(=O)[C@H](N)Cc1cccc2ccccc12)C(=O)NCc1ccc(cc1)C(N)=N |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595064
PNG
(US11584714, Compound 1092)
Show SMILES C[C@H](NC(=O)[C@H](N)Cc1cccc2ccccc12)C(=O)NCc1ccc(cc1)C(N)=N |r|
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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595064
PNG
(US11584714, Compound 1092)
Show SMILES C[C@H](NC(=O)[C@H](N)Cc1cccc2ccccc12)C(=O)NCc1ccc(cc1)C(N)=N |r|
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The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595401
PNG
(US11584714, Compound 1489)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
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The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595402
PNG
(US11584714, Compound 1490)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(Cl)c2c1
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595402
PNG
(US11584714, Compound 1490)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(Cl)c2c1
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The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595403
PNG
(US11584714, Compound 1491)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595403
PNG
(US11584714, Compound 1491)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1
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The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595404
PNG
(US11584714, Compound 1492)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)[nH]c2c1
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595404
PNG
(US11584714, Compound 1492)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)[nH]c2c1
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595404
PNG
(US11584714, Compound 1492)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)[nH]c2c1
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The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595406
PNG
(US11584714, Compound 1494)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](Cc2ccc(F)c(Cl)c2)CN1)C(=O)NCc1cc2cnccc2[nH]1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595406
PNG
(US11584714, Compound 1494)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](Cc2ccc(F)c(Cl)c2)CN1)C(=O)NCc1cc2cnccc2[nH]1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


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BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595408
PNG
(US11584714, Compound 1496)
Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(N)nc1C)c1ccccc1 |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595409
PNG
(US11584714, Compound 1497)
Show SMILES C[C@H](N(C)C(=O)[C@H]1C[C@H](Cc2ccc(Br)cc2)CN1)C(=O)NCc1ccc(N)nc1C |r|
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The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604240
PNG
(Preparation of (2R,4S)—N—((S)-1-((4-((Z)—N′-...)
Show SMILES CC(C)[C@H](N)C(=O)O\N=C(/N)c1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2C[C@H](CCN2)c2ccccc2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
<500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595385
PNG
(US11584714, Compound 1473)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](Cc2ccc(F)c(Cl)c2)CN1CCC(O)=O)C(=O)NCc1ccc(N)nc1C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
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