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Compile Data Set for Download or QSAR

Found 1001 hits with Last Name = 'woodrow' and Initial = 'md'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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n/an/a 0.00794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414999
PNG
(CHEMBL569791)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C26H24N4O5S/c1-30(2)26(32)16-6-4-9-19(12-16)36(33,34)20-10-11-23-21(14-20)24(22(15-28-23)25(27)31)29-17-7-5-8-18(13-17)35-3/h4-15H,1-3H3,(H2,27,31)(H,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415009
PNG
(CHEMBL571381)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C25H23N3O5S/c1-15-11-20(34(30,31)19-9-7-17(32-2)8-10-19)13-21-23(15)27-14-22(25(26)29)24(21)28-16-5-4-6-18(12-16)33-3/h4-14H,1-3H3,(H2,26,29)(H,27,28)
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n/an/a 0.0200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415008
PNG
(CHEMBL584327)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
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n/an/a 0.100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414998
PNG
(CHEMBL569556)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
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n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415007
PNG
(CHEMBL571171)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)C(C)(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H27N3O4S/c1-27(2,3)17-8-10-20(11-9-17)35(32,33)21-12-13-24-22(15-21)25(23(16-29-24)26(28)31)30-18-6-5-7-19(14-18)34-4/h5-16H,1-4H3,(H2,28,31)(H,29,30)
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414992
PNG
(CHEMBL576479)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413291
PNG
(CHEMBL515240)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415000
PNG
(CHEMBL570029)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)-c2ccoc2)C(N)=O)c1
Show InChI InChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30)
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415004
PNG
(CHEMBL571593)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N2CCOCC2)C(N)=O)c1
Show InChI InChI=1S/C21H22N4O5S/c1-29-15-4-2-3-14(11-15)24-20-17-12-16(31(27,28)25-7-9-30-10-8-25)5-6-19(17)23-13-18(20)21(22)26/h2-6,11-13H,7-10H2,1H3,(H2,22,26)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415006
PNG
(CHEMBL585528)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccc2ncsc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414994
PNG
(CHEMBL571386)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27)
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n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414989
PNG
(CHEMBL585937)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)C2CCCC2)C(N)=O)c1
Show InChI InChI=1S/C22H23N3O4S/c1-29-15-6-4-5-14(11-15)25-21-18-12-17(30(27,28)16-7-2-3-8-16)9-10-20(18)24-13-19(21)22(23)26/h4-6,9-13,16H,2-3,7-8H2,1H3,(H2,23,26)(H,24,25)
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n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413298
PNG
(CHEMBL462150)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498874
PNG
(US11014912, Example 50)
Show SMILES C[C@@H]([C@@H]1CCN(C1)C#N)C(=O)Nc1cc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN4O2/c1-11(13-5-6-22(9-13)10-19)17(23)20-16-8-15(21-24-16)12-3-2-4-14(18)7-12/h2-4,7-8,11,13H,5-6,9H2,1H3,(H,20,23)/t11-,13+/m0/s1
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n/an/a 5.5n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498875
PNG
(US11014912, Example 51)
Show SMILES O=C(C[C@H]1CCN(C1)C#N)Nc1cc(no1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H15N5O2/c18-9-12-2-1-3-14(6-12)15-8-17(24-21-15)20-16(23)7-13-4-5-22(10-13)11-19/h1-3,6,8,13H,4-5,7,10H2,(H,20,23)/t13-/m1/s1
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n/an/a 5.5n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498860
PNG
((R)—N-(3-(3-Chlorophenyl)isoxazol-5-yl)-2-(1-...)
Show SMILES Clc1cccc(c1)-c1cc(NC(=O)C[C@H]2CCN(C2)C#N)on1 |r|
Show InChI InChI=1S/C16H15ClN4O2/c17-13-3-1-2-12(7-13)14-8-16(23-20-14)19-15(22)6-11-4-5-21(9-11)10-18/h1-3,7-8,11H,4-6,9H2,(H,19,22)/t11-/m1/s1
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n/an/a 5.5n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498879
PNG
(US11014912, Example 55)
Show SMILES O=C(C[C@H]1CCN(C1)C#N)Nc1cc(on1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H15N5O2/c18-9-12-2-1-3-14(6-12)15-8-16(21-24-15)20-17(23)7-13-4-5-22(10-13)11-19/h1-3,6,8,13H,4-5,7,10H2,(H,20,21,23)/t13-/m1/s1
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n/an/a 5.5n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498878
PNG
(US11014912, Example 54)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(NC(=O)C[C@H]2CCN(C2)C#N)on1
Show InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)26-13-3-1-2-12(7-13)14-8-16(27-23-14)22-15(25)6-11-4-5-24(9-11)10-21/h1-3,7-8,11H,4-6,9H2,(H,22,25)/t11-/m1/s1
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n/an/a 5.5n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415005
PNG
(CHEMBL569352)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414993
PNG
(CHEMBL571594)
Show SMILES CCc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C24H21N3O3S/c1-2-16-7-6-8-17(13-16)27-23-20-14-19(31(29,30)18-9-4-3-5-10-18)11-12-22(20)26-15-21(23)24(25)28/h3-15H,2H2,1H3,(H2,25,28)(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414997
PNG
(CHEMBL569555)
Show SMILES Cc1coc2CCCC(Nc3c(cnc4ccc(cc34)S(=O)(=O)c3ccccc3)C(N)=O)c12
Show InChI InChI=1S/C25H23N3O4S/c1-15-14-32-22-9-5-8-21(23(15)22)28-24-18-12-17(33(30,31)16-6-3-2-4-7-16)10-11-20(18)27-13-19(24)25(26)29/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H2,26,29)(H,27,28)
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414991
PNG
(CHEMBL569790)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N2CCOCC2)C(N)=O)c1
Show InChI InChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415003
PNG
(CHEMBL570956)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal BRD4 bromodomain expressed in Escherichia coli BL21(DE3) after 30 mins by luminescence proximity homogeneous assay


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414996
PNG
(CHEMBL571170)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccnc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414995
PNG
(CHEMBL585537)
Show SMILES NC(=O)c1cnc2ccc(cc2c1NC1CCCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,23,26)(H,24,25)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498877
PNG
(US11014912, Example 53)
Show SMILES C[C@H]([C@@H]1CCN(C1)C#N)C(=O)Nc1cc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN4O2/c1-11(13-5-6-22(9-13)10-19)17(23)20-16-8-15(21-24-16)12-3-2-4-14(18)7-12/h2-4,7-8,11,13H,5-6,9H2,1H3,(H,20,23)/t11-,13-/m1/s1
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n/an/a 55n/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498867
PNG
(US11014912, Example 43)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)C[C@H]2CCN(C2)C#N)on1
Show InChI InChI=1S/C17H18N4O3/c1-23-14-4-2-3-13(8-14)15-9-17(24-20-15)19-16(22)7-12-5-6-21(10-12)11-18/h2-4,8-9,12H,5-7,10H2,1H3,(H,19,22)/t12-/m1/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498866
PNG
(US11014912, Example 42)
Show SMILES Clc1cccc(c1)-c1cc(NC(=O)C[C@@H]2CCN(C2)C#N)on1
Show InChI InChI=1S/C16H15ClN4O2/c17-13-3-1-2-12(7-13)14-8-16(23-20-14)19-15(22)6-11-4-5-21(9-11)10-18/h1-3,7-8,11H,4-6,9H2,(H,19,22)/t11-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498864
PNG
((S)-3-(2-(3-(4-Methoxy-3-(1-methyl-1H-pyrazol-5-yl...)
Show SMILES COc1ccc(cc1-c1ccnn1C)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C21H25N5O2/c1-24-19(5-7-23-24)18-10-16(3-4-20(18)28-2)17-12-26(13-17)21(27)9-15-6-8-25(11-15)14-22/h3-5,7,10,15,17H,6,8-9,11-13H2,1-2H3/t15-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498863
PNG
((S)-3-(2-(3-(4-Methoxy-3-(1H-pyrazol-5-yl)phenyl)a...)
Show SMILES COc1ccc(cc1-c1ccnn1C(=O)OC(C)(C)C)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C29H40N4O6/c1-28(2,3)38-26(35)31-13-11-19(16-31)14-25(34)32-17-21(18-32)20-8-9-24(37-7)22(15-20)23-10-12-30-33(23)27(36)39-29(4,5)6/h8-10,12,15,19,21H,11,13-14,16-18H2,1-7H3/t19-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498862
PNG
(US11014912, Example 38)
Show SMILES COc1ccc(cc1)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C#N
Show InChI InChI=1S/C17H21N3O2/c1-22-16-4-2-14(3-5-16)15-10-20(11-15)17(21)8-13-6-7-19(9-13)12-18/h2-5,13,15H,6-11H2,1H3/t13-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498846
PNG
(2-(1-Cyanopyrrolidin-3- ylidene)-N-(4- phenoxyphen...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C=C1CCN(C1)C#N |w:16.17|
Show InChI InChI=1S/C19H17N3O2/c20-14-22-11-10-15(13-22)12-19(23)21-16-6-8-18(9-7-16)24-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2,(H,21,23)/b15-12-
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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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498889
PNG
(US11014912, Example 67)
Show SMILES COc1ccc(cc1-c1cnn(C)c1)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C#N
Show InChI InChI=1S/C21H25N5O2/c1-24-11-17(9-23-24)19-8-16(3-4-20(19)28-2)18-12-26(13-18)21(27)7-15-5-6-25(10-15)14-22/h3-4,8-9,11,15,18H,5-7,10,12-13H2,1-2H3/t15-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498883
PNG
(US11014912, Example 59)
Show SMILES Cc1cc(ccc1C#N)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C#N
Show InChI InChI=1S/C18H20N4O/c1-13-6-15(2-3-16(13)8-19)17-10-22(11-17)18(23)7-14-4-5-21(9-14)12-20/h2-3,6,14,17H,4-5,7,9-11H2,1H3/t14-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM498890
PNG
(US11014912, Example 68)
Show SMILES COc1cccc(C2CN(C2)C(=O)C[C@@H]2CCN(C2)C#N)c1F
Show InChI InChI=1S/C17H20FN3O2/c1-23-15-4-2-3-14(17(15)18)13-9-21(10-13)16(22)7-12-5-6-20(8-12)11-19/h2-4,12-13H,5-10H2,1H3/t12-/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 US11014912 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q27
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal BRD4 bromodomain expressed in Escherichia coli BL21(DE3) after 30 mins by luminescence proximity homogeneous assay


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM556946
PNG
((S)-4-(3-(1-Cyanopyrrolidin-2-yl)-1,2,4-oxadiazol-...)
Show SMILES N#CN1CCC[C@H]1c1noc(n1)-c1ccnc(c1)-c1ccnc(c1)C#N |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28K7D9M
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM556948
PNG
((S)-6-(3-(1-Cyanopyrrolidin-2-yl)-1,2,4-oxadiazol-...)
Show SMILES N#CN1CCC[C@H]1c1noc(n1)-c1cccc(n1)-c1ccnc(c1)C#N |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28K7D9M
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM436072
PNG
((R)-1-cyano-3-fluoro-N-(1-phenyl-1H-pyrazol-4-yl)p...)
Show SMILES F[C@@]1(CCN(C1)C#N)C(=O)Nc1cnn(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H14FN5O/c16-15(6-7-20(10-15)11-17)14(22)19-12-8-18-21(9-12)13-4-2-1-3-5-13/h1-5,8-9H,6-7,10H2,(H,19,22)/t15-/m1/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 US10590075 (2020)


BindingDB Entry DOI: 10.7270/Q2280BNN
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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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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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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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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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)
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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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
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM441759
PNG
((R)-3-(5-(3-Chlorophenyl)-2,3-dihydro-1H-pyrrolo[2...)
Show SMILES F[C@@]1(CCN(C1)C#N)C(=O)N1CCc2cc(cnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClFN4O/c20-16-3-1-2-13(9-16)15-8-14-4-6-25(17(14)23-10-15)18(26)19(21)5-7-24(11-19)12-22/h1-3,8-10H,4-7,11H2/t19-/m1/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 M for a final concentration of 100 μM) in 50% DMSO in a 96-well polyprop...


US Patent US10640498 (2020)


BindingDB Entry DOI: 10.7270/Q2J10663
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM441743
PNG
(3-Fluoro-3-(5-(2-fluoro-5- methylphenyl)indoline-1...)
Show SMILES Cc1ccc(F)c(c1)-c1ccc2N(CCc2c1)C(=O)C1(F)CCN(C1)C#N
Show InChI InChI=1S/C21H19F2N3O/c1-14-2-4-18(22)17(10-14)15-3-5-19-16(11-15)6-8-26(19)20(27)21(23)7-9-25(12-21)13-24/h2-5,10-11H,6-9,12H2,1H3
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 M for a final concentration of 100 μM) in 50% DMSO in a 96-well polyprop...


US Patent US10640498 (2020)


BindingDB Entry DOI: 10.7270/Q2J10663
More data for this
Ligand-Target Pair
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