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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin carboxyl-terminal hydrolase 2'   
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
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a 1.66E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP21 (unknown origin) using ubiquitin-Rh110 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50442907
PNG
(Acetyl Isogambogic Acid | CHEMBL3039433)
Show SMILES CC(=O)Oc1c2C=CC(C)(CCC=C(C)C)Oc2c(CC=C(C)C)c2O[C@@]34C5C[C@@H](C=C3C(=O)c12)C(=O)C4(C\C=C(/C)C(O)=O)OC5(C)C
Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1
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n/an/a 1.82E+4n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM200235
PNG
(Rifampicin | cid_5381226)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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n/an/a 2.12E+4n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM205457
PNG
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)
Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 2.87E+4n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
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
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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP2 (unknown origin) using diubiquitin IQF K4804 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
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n/an/a 3.26E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of USP2 catalytic domain (unknown origin) expressed in bacteria using Ub-AMC as substrate preincubated for 30 mins before substrate additi...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50242207
PNG
(CHEMBL455364 | Mangiferin)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1
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n/an/a 6.78E+4n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
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
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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
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
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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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
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
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n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair