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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9123   
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
OTU domain-containing protein 7B


(Human)
BDBM443362
PNG
(7-(1H-Indazol-4-yl)-2- oxo-1,2-dihydrospiro [pyrid...)
Show SMILES O=C1Nc2cc(cnc2OC11CCN(C1)C#N)-c1cccc2[nH]ncc12
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443363
PNG
(7-(1-Methyl-1H-indazol- 4-yl)-2-oxo-1,2- dihydrosp...)
Show SMILES Cn1ncc2c(cccc12)-c1cnc2OC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C19H16N6O2/c1-24-16-4-2-3-13(14(16)9-22-24)12-7-15-17(21-8-12)27-19(18(26)23-15)5-6-25(10-19)11-20/h2-4,7-9H,5-6,10H2,1H3,(H,23,26)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443251
PNG
(7'-(1-Methyl-1H-indazol-5-yl)- 2'-oxo-1',4'-dihydr...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc2CC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C21H19N5O/c1-25-19-5-4-14(8-17(19)11-23-25)15-2-3-16-10-21(6-7-26(12-21)13-22)20(27)24-18(16)9-15/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,24,27)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443372
PNG
(7-(5-Methyl-1H- indazol-4-yl)-2- oxo-1,4-dihydro- ...)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cnc2NC3(CCN(C3)C#N)C(=O)Nc2c1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443364
PNG
(7-(1-(2-Hydroxyethyl)- 1H-indazol-4-yl)-2- oxo-1,2...)
Show SMILES CCn1ncc2c(cccc12)-c1cnc2OC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C20H18N6O2/c1-2-26-17-5-3-4-14(15(17)10-23-26)13-8-16-18(22-9-13)28-20(19(27)24-16)6-7-25(11-20)12-21/h3-5,8-10H,2,6-7,11H2,1H3,(H,24,27)
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443279
PNG
(7-(4-Fluorophenyl)-2-oxo- 1,2-dihydrospiro[pyrido ...)
Show SMILES Fc1ccc(cc1)-c1cnc2OC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-11(2-4-13)12-7-14-15(20-8-12)24-17(16(23)21-14)5-6-22(9-17)10-19/h1-4,7-8H,5-6,9H2,(H,21,23)
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443280
PNG
(7-(3-Fluorophenyl)-2-oxo- 1,2-dihydrospiro[pyrido ...)
Show SMILES Fc1cccc(c1)-c1cnc2OC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)24-17(16(23)21-14)4-5-22(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,21,23)
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443281
PNG
(2-Oxo-6-phenyl-1,2-dihydrospiro[pyrido[2,3-b][1,4]...)
Show SMILES O=C1Nc2ccc(nc2OC11CCN(C1)C#N)-c1ccccc1
Show InChI InChI=1S/C17H14N4O2/c18-11-21-9-8-17(10-21)16(22)20-14-7-6-13(19-15(14)23-17)12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,22)
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443284
PNG
(US10654853, Example 57 | US11236092, Example 57)
Show SMILES O=C1Nc2cc(cnc2NC11CCN(C1)C#N)-c1ccccc1
Show InChI InChI=1S/C17H15N5O/c18-11-22-7-6-17(10-22)16(23)20-14-8-13(9-19-15(14)21-17)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,19,21)(H,20,23)
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443285
PNG
(7-(4-Cyanophenyl)-2- oxo-1,4-dihydro-2H- spiro[pyr...)
Show SMILES O=C1Nc2cc(cnc2NC11CCN(C1)C#N)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H14N6O/c19-8-12-1-3-13(4-2-12)14-7-15-16(21-9-14)23-18(17(25)22-15)5-6-24(10-18)11-20/h1-4,7,9H,5-6,10H2,(H,21,23)(H,22,25)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443286
PNG
(US10654853, Example 59 | US11236092, Example 59)
Show SMILES Fc1ccc(cc1)-c1cnc2NC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C17H14FN5O/c18-13-3-1-11(2-4-13)12-7-14-15(20-8-12)22-17(16(24)21-14)5-6-23(9-17)10-19/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,24)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443287
PNG
(US10654853, Example 60 | US11236092, Example 60)
Show SMILES Fc1cccc(c1)-c1cnc2NC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C17H14FN5O/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)22-17(16(24)21-14)4-5-23(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,20,22)(H,21,24)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443291
PNG
((S)-2-Oxo-7-phenyl-1,2-dihydrospiro[pyrido[2,3-b][...)
Show SMILES O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C17H14N4O2/c18-11-21-7-6-17(10-21)16(22)20-14-8-13(9-19-15(14)23-17)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,22)/t17-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443293
PNG
((S)-2-Oxo-1,4- dihydro-2H- spiro[pyrido[2,3- b]pyr...)
Show SMILES O=C1Nc2cccnc2N[C@]11CCN(C1)C#N |r|
Show InChI InChI=1S/C11H11N5O/c12-7-16-5-3-11(6-16)10(17)14-8-2-1-4-13-9(8)15-11/h1-2,4H,3,5-6H2,(H,13,15)(H,14,17)/t11-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443294
PNG
((R)-2'-Oxo-6'- phenyl-1',4'- dihydro-2'H- spiro[py...)
Show SMILES O=C1Nc2ccc(cc2C[C@]11CCN(C1)C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N3O/c20-13-22-9-8-19(12-22)11-16-10-15(14-4-2-1-3-5-14)6-7-17(16)21-18(19)23/h1-7,10H,8-9,11-12H2,(H,21,23)/t19-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443295
PNG
((S)-2-Oxo-7- phenyl- 1,4-dihydro-2H- spiro[pyrido[...)
Show SMILES O=C1Nc2cc(cnc2N[C@]11CCN(C1)C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C17H15N5O/c18-11-22-7-6-17(10-22)16(23)20-14-8-13(9-19-15(14)21-17)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,19,21)(H,20,23)/t17-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443296
PNG
((S)-7-(3- Fluorophenyl)- 2-oxo-1,2- dihydrospiro [...)
Show SMILES Fc1cccc(c1)-c1cnc2O[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)24-17(16(23)21-14)4-5-22(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,21,23)/t17-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443297
PNG
((S)-7-(4- Cyanophenyl)- 2-oxo-1,2- dihydrospiro [p...)
Show SMILES O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C18H13N5O2/c19-8-12-1-3-13(4-2-12)14-7-15-16(21-9-14)25-18(17(24)22-15)5-6-23(10-18)11-20/h1-4,7,9H,5-6,10H2,(H,22,24)/t18-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443298
PNG
((S)-7-(3- Cyanophenyl)- 2-oxo-1,2- dihydrospiro [p...)
Show SMILES O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C18H13N5O2/c19-8-12-2-1-3-13(6-12)14-7-15-16(21-9-14)25-18(17(24)22-15)4-5-23(10-18)11-20/h1-3,6-7,9H,4-5,10H2,(H,22,24)/t18-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443299
PNG
((S)-7-(4- Fluorophenyl)- 2-oxo-1,4- dihydro-2H- sp...)
Show SMILES Fc1ccc(cc1)-c1cnc2N[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H14FN5O/c18-13-3-1-11(2-4-13)12-7-14-15(20-8-12)22-17(16(24)21-14)5-6-23(9-17)10-19/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,24)/t17-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443300
PNG
((S)-7-(3- Fluorophenyl)- 2-oxo- 1,4-dihydro- 2H-sp...)
Show SMILES Fc1cccc(c1)-c1cnc2N[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H14FN5O/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)22-17(16(24)21-14)4-5-23(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,20,22)(H,21,24)/t17-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443301
PNG
((S)-7-(4- Fluorophenyl)- 2-oxo-1,2- dihydrospiro [...)
Show SMILES Fc1ccc(cc1)-c1cnc2O[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-11(2-4-13)12-7-14-15(20-8-12)24-17(16(23)21-14)5-6-22(9-17)10-19/h1-4,7-8H,5-6,9H2,(H,21,23)/t17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443302
PNG
((S)-7-(3-Cyanophenyl)-2-oxo-1,4-dihydro-2H-spiro[p...)
Show SMILES O=C1Nc2cc(cnc2N[C@]11CCN(C1)C#N)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C18H14N6O/c19-8-12-2-1-3-13(6-12)14-7-15-16(21-9-14)23-18(17(25)22-15)4-5-24(10-18)11-20/h1-3,6-7,9H,4-5,10H2,(H,21,23)(H,22,25)/t18-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443313
PNG
(2-Oxo-1,2,4,5-tetrahydrospiro[pyrido[2,3-b][1,4]di...)
Show SMILES O=C1Nc2cccnc2NCC11CCN(C1)C#N
Show InChI InChI=1S/C12H13N5O/c13-8-17-5-3-12(7-17)6-15-10-9(16-11(12)18)2-1-4-14-10/h1-2,4H,3,5-7H2,(H,14,15)(H,16,18)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443314
PNG
(8-Methyl-7,10-dioxo-8-phenyl-2,6,9-triazaspiro[4.5...)
Show SMILES CC1(NC(=O)C2(CCN(C2)C#N)NC1=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-14(11-5-3-2-4-6-11)12(20)18-15(13(21)17-14)7-8-19(9-15)10-16/h2-6H,7-9H2,1H3,(H,17,21)(H,18,20)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443317
PNG
(7'-(3-(4-Methylpiperazine-1- carbonyl)phenyl)-2'-o...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1ccc2CC3(CCN(C3)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C25H27N5O2/c1-28-9-11-30(12-10-28)23(31)20-4-2-3-18(13-20)19-5-6-21-15-25(7-8-29(16-25)17-26)24(32)27-22(21)14-19/h2-6,13-14H,7-12,15-16H2,1H3,(H,27,32)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443320
PNG
(6'-(4-(Benzyloxy)phenyl)-2'-oxo-1',4'- dihydro-2'H...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O2/c27-18-29-13-12-26(17-29)15-22-14-21(8-11-24(22)28-25(26)30)20-6-9-23(10-7-20)31-16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,28,30)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443321
PNG
(6'-(1-Methyl-1H-pyrazol-5-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1nccc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C17H17N5O/c1-21-15(4-6-19-21)12-2-3-14-13(8-12)9-17(16(23)20-14)5-7-22(10-17)11-18/h2-4,6,8H,5,7,9-10H2,1H3,(H,20,23)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443322
PNG
(2'-Oxo-6'-(3- (trifluoromethoxy)phenyl)-1',4'- dih...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)28-16-3-1-2-13(9-16)14-4-5-17-15(8-14)10-19(18(27)25-17)6-7-26(11-19)12-24/h1-5,8-9H,6-7,10-11H2,(H,25,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443324
PNG
(6'-(1-Methyl-1H-pyrazol-4-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1cc(cn1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C17H17N5O/c1-21-9-14(8-19-21)12-2-3-15-13(6-12)7-17(16(23)20-15)4-5-22(10-17)11-18/h2-3,6,8-9H,4-5,7,10H2,1H3,(H,20,23)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443325
PNG
(5-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C20H19N5O2/c1-22-18(26)17-5-3-14(10-23-17)13-2-4-16-15(8-13)9-20(19(27)24-16)6-7-25(11-20)12-21/h2-5,8,10H,6-7,9,11H2,1H3,(H,22,26)(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443327
PNG
(4-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H20N4O2/c1-23-19(26)15-4-2-14(3-5-15)16-6-7-18-17(10-16)11-21(20(27)24-18)8-9-25(12-21)13-22/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443328
PNG
(6'-(5-Isopropyl-2-methoxyphenyl)-2'- oxo-1',4'-dih...)
Show SMILES COc1ccc(cc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1)C(C)C
Show InChI InChI=1S/C23H25N3O2/c1-15(2)16-5-7-21(28-3)19(11-16)17-4-6-20-18(10-17)12-23(22(27)25-20)8-9-26(13-23)14-24/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,25,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443330
PNG
(6'-(6-Methoxypyridin-3-yl)-2'-oxo- 1',4'-dihydro-2...)
Show SMILES COc1ccc(cn1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C19H18N4O2/c1-25-17-5-3-14(10-21-17)13-2-4-16-15(8-13)9-19(18(24)22-16)6-7-23(11-19)12-20/h2-5,8,10H,6-7,9,11H2,1H3,(H,22,24)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443331
PNG
(6'-(5-Fluoro-2-isopropoxyphenyl)-2'- oxo-1',4'-dih...)
Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-14(2)28-20-6-4-17(23)10-18(20)15-3-5-19-16(9-15)11-22(21(27)25-19)7-8-26(12-22)13-24/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,25,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443332
PNG
(6'-(3-Methyl-1H-indazol-6-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1ccc2cn[nH]c2c1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443334
PNG
(6'-(1-Methyl-1H-indazol-5-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H19N5O/c1-25-19-5-3-15(9-17(19)11-23-25)14-2-4-18-16(8-14)10-21(20(27)24-18)6-7-26(12-21)13-22/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443335
PNG
(6'-(5-Methyl-1H-indazol-4-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cc1ccc2[nH]ncc2c1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443336
PNG
(N-(3-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H22N4O3S/c23-14-26-9-8-22(13-26)12-17-10-16(4-7-20(17)24-21(22)27)15-2-1-3-18(11-15)25-30(28,29)19-5-6-19/h1-4,7,10-11,19,25H,5-6,8-9,12-13H2,(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443337
PNG
(4-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25(2)20(27)16-5-3-15(4-6-16)17-7-8-19-18(11-17)12-22(21(28)24-19)9-10-26(13-22)14-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,28)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443338
PNG
(2'-Oxo-6'-(pyrimidin-5-yl)-1',4'- dihydro-2'H-spir...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cncnc1
Show InChI InChI=1S/C17H15N5O/c18-10-22-4-3-17(9-22)6-13-5-12(14-7-19-11-20-8-14)1-2-15(13)21-16(17)23/h1-2,5,7-8,11H,3-4,6,9H2,(H,21,23)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443339
PNG
(N-(3-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H20N4O2/c1-14(26)23-18-4-2-3-15(10-18)16-5-6-19-17(9-16)11-21(20(27)24-19)7-8-25(12-21)13-22/h2-6,9-10H,7-8,11-12H2,1H3,(H,23,26)(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443340
PNG
(N-(4-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H20N4O2/c1-14(26)23-18-5-2-15(3-6-18)16-4-7-19-17(10-16)11-21(20(27)24-19)8-9-25(12-21)13-22/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443341
PNG
(6'-(3-(4-Methylpiperazine-1- carbonyl)phenyl)-2'-o...)
Show SMILES O=C(N1CCNCC1)c1cccc(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C24H25N5O2/c25-16-28-9-6-24(15-28)14-20-13-18(4-5-21(20)27-23(24)31)17-2-1-3-19(12-17)22(30)29-10-7-26-8-11-29/h1-5,12-13,26H,6-11,14-15H2,(H,27,31)
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443342
PNG
(6'-(1-Methyl-1H-pyrrol-2-yl)-2'-oxo- 1',4'-dihydro...)
Show SMILES Cn1cccc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C18H18N4O/c1-21-7-2-3-16(21)13-4-5-15-14(9-13)10-18(17(23)20-15)6-8-22(11-18)12-19/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

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n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443343
PNG
(6'-(4-(Morpholinosulfonyl)phenyl)-2'- oxo-1',4'-di...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H24N4O4S/c24-16-26-8-7-23(15-26)14-19-13-18(3-6-21(19)25-22(23)28)17-1-4-20(5-2-17)32(29,30)27-9-11-31-12-10-27/h1-6,13H,7-12,14-15H2,(H,25,28)
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443344
PNG
(6'-(3,5-Dimethyl-1H-pyrazol-4-yl)-2'- oxo-1',4'-di...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443345
PNG
(2'-Oxo-6'-(3-(piperidin-1-yl)phenyl)- 1',4'-dihydr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(c1)N1CCCCC1
Show InChI InChI=1S/C24H26N4O/c25-17-27-12-9-24(16-27)15-20-13-19(7-8-22(20)26-23(24)29)18-5-4-6-21(14-18)28-10-2-1-3-11-28/h4-8,13-14H,1-3,9-12,15-16H2,(H,26,29)
PDB

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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443346
PNG
(N-(2-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES CC(=O)Nc1ccccc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H20N4O2/c1-14(26)23-19-5-3-2-4-17(19)15-6-7-18-16(10-15)11-21(20(27)24-18)8-9-25(12-21)13-22/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27)
PDB

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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443347
PNG
(6'-(4-(Morpholine-4-carbonyl)phenyl)- 2'-oxo-1',4'...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C24H24N4O3/c25-16-27-8-7-24(15-27)14-20-13-19(5-6-21(20)26-23(24)30)17-1-3-18(4-2-17)22(29)28-9-11-31-12-10-28/h1-6,13H,7-12,14-15H2,(H,26,30)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
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