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PubMed code 24568342

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007790
PNG
(CHEMBL3233814)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007791
PNG
(CHEMBL3233815)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007792
PNG
(CHEMBL3233808)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(NC(C)=O)cc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-9-5-7-22-6-3-4-8-26(22)25)30-16-14-23(15-17-30)27(32)28-18-21-10-12-24(13-11-21)29-20(2)31/h3-13,19,23H,14-18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007793
PNG
(CHEMBL3233813)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)c(F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H26F2N2O/c1-17(21-8-4-6-19-5-2-3-7-22(19)21)29-13-11-20(12-14-29)25(30)28-16-18-9-10-23(26)24(27)15-18/h2-10,15,17,20H,11-14,16H2,1H3,(H,28,30)/t17-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007794
PNG
(CHEMBL3233822)
Show SMILES COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1 |r|
Show InChI InChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)/t18-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP8 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50007790
PNG
(CHEMBL3233814)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP8 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP7 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP8 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP2 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007790
PNG
(CHEMBL3233814)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP8 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%