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Compile Data Set for Download or QSAR

Found 146 hits of ic50 for UniProtKB: A0A024R2L1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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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US Patent
n/an/a 17n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352028
PNG
(US9802904, 89)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC2(CC2)c2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C28H28N4/c1-19(2)24-8-4-5-9-25(24)27-30-17-20(3)26(31-27)32-28(14-15-28)23-12-10-21(11-13-23)22-7-6-16-29-18-22/h4-13,16-19H,14-15H2,1-3H3,(H,30,31,32)
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n/an/a 34n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352011
PNG
(US9802904, 72)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccc(C)nc2)n1
Show InChI InChI=1S/C27H28N4/c1-18(2)24-7-5-6-8-25(24)27-29-15-19(3)26(31-27)30-16-21-10-13-22(14-11-21)23-12-9-20(4)28-17-23/h5-15,17-18H,16H2,1-4H3,(H,29,30,31)
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n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350387
PNG
(US9802904, 60)
Show SMILES CCc1cnc(nc1NCc1ccc(cc1)-c1ccccc1)-c1ccccc1C(C)C
Show InChI InChI=1S/C28H29N3/c1-4-22-19-30-28(26-13-9-8-12-25(26)20(2)3)31-27(22)29-18-21-14-16-24(17-15-21)23-10-6-5-7-11-23/h5-17,19-20H,4,18H2,1-3H3,(H,29,30,31)
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n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352013
PNG
(US9802904, 74)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(CC2)c2cccnc2)n1
Show InChI InChI=1S/C25H31N5/c1-18(2)22-8-4-5-9-23(22)25-27-15-19(3)24(29-25)28-16-20-10-13-30(14-11-20)21-7-6-12-26-17-21/h4-9,12,15,17-18,20H,10-11,13-14,16H2,1-3H3,(H,27,28,29)
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n/an/a 48n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352011
PNG
(US9802904, 72)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccc(C)nc2)n1
Show InChI InChI=1S/C27H28N4/c1-18(2)24-7-5-6-8-25(24)27-29-15-19(3)26(31-27)30-16-21-10-13-22(14-11-21)23-12-9-20(4)28-17-23/h5-15,17-18H,16H2,1-4H3,(H,29,30,31)
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n/an/a 50n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352025
PNG
(US9802904, 86)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C26H26N4/c1-18(2)23-8-4-5-9-24(23)26-28-15-19(3)25(30-26)29-16-20-10-12-21(13-11-20)22-7-6-14-27-17-22/h4-15,17-18H,16H2,1-3H3,(H,28,29,30)
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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351737
PNG
(US9802904, 61)
Show SMILES CC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C26H24FN3/c1-18(2)22-10-6-7-11-23(22)25-29-17-24(27)26(30-25)28-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,28,29,30)
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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352018
PNG
(US9802904, 79)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccc(F)nc2)n1
Show InChI InChI=1S/C26H25FN4/c1-17(2)22-6-4-5-7-23(22)26-29-14-18(3)25(31-26)30-15-19-8-10-20(11-9-19)21-12-13-24(27)28-16-21/h4-14,16-17H,15H2,1-3H3,(H,29,30,31)
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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350386
PNG
(US9802904, 59)
Show SMILES CC(C)c1ccccc1-c1ncc(O)c(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C26H25N3O/c1-18(2)22-10-6-7-11-23(22)25-28-17-24(30)26(29-25)27-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18,30H,16H2,1-2H3,(H,27,28,29)
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n/an/a 68n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497350
PNG
(CHEMBL3187668)
Show SMILES COc1cnc(nc1NCc1ccc(cc1)-c1cccnc1)-c1ccccc1C(C)C
Show InChI InChI=1S/C26H26N4O/c1-18(2)22-8-4-5-9-23(22)25-29-17-24(31-3)26(30-25)28-15-19-10-12-20(13-11-19)21-7-6-14-27-16-21/h4-14,16-18H,15H2,1-3H3,(H,28,29,30)
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n/an/a 70n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352025
PNG
(US9802904, 86)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C26H26N4/c1-18(2)23-8-4-5-9-24(23)26-28-15-19(3)25(30-26)29-16-20-10-12-21(13-11-20)22-7-6-14-27-17-22/h4-15,17-18H,16H2,1-3H3,(H,28,29,30)
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n/an/a 70n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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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US Patent
n/an/a 76n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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 76n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497334
PNG
(CHEMBL3182908)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2occc2n1
Show InChI InChI=1S/C27H24N4O/c1-18(2)22-7-3-4-8-23(22)26-30-24-13-15-32-25(24)27(31-26)29-16-19-9-11-20(12-10-19)21-6-5-14-28-17-21/h3-15,17-18H,16H2,1-2H3,(H,29,30,31)
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n/an/a 80n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352013
PNG
(US9802904, 74)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(CC2)c2cccnc2)n1
Show InChI InChI=1S/C25H31N5/c1-18(2)22-8-4-5-9-23(22)25-27-15-19(3)24(29-25)28-16-20-10-13-30(14-11-20)21-7-6-12-26-17-21/h4-9,12,15,17-18,20H,10-11,13-14,16H2,1-3H3,(H,27,28,29)
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n/an/a 80n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352018
PNG
(US9802904, 79)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccc(F)nc2)n1
Show InChI InChI=1S/C26H25FN4/c1-17(2)22-6-4-5-7-23(22)26-29-14-18(3)25(31-26)30-15-19-8-10-20(11-9-19)21-12-13-24(27)28-16-21/h4-14,16-17H,15H2,1-3H3,(H,29,30,31)
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n/an/a 80n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351922
PNG
(US9802904, 64)
Show SMILES CSc1cnc(nc1NCc1ccc(cc1)-c1ccccc1)-c1ccccc1C(C)C
Show InChI InChI=1S/C27H27N3S/c1-19(2)23-11-7-8-12-24(23)26-29-18-25(31-3)27(30-26)28-17-20-13-15-22(16-14-20)21-9-5-4-6-10-21/h4-16,18-19H,17H2,1-3H3,(H,28,29,30)
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n/an/a 86n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352014
PNG
(US9802904, 75)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(CC2)c2ccc(C)nc2)n1
Show InChI InChI=1S/C26H33N5/c1-18(2)23-7-5-6-8-24(23)26-28-15-19(3)25(30-26)29-16-21-11-13-31(14-12-21)22-10-9-20(4)27-17-22/h5-10,15,17-18,21H,11-14,16H2,1-4H3,(H,28,29,30)
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n/an/a 90n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497315
PNG
(CHEMBL3188490)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2sccc2n1
Show InChI InChI=1S/C27H24N4S/c1-18(2)22-7-3-4-8-23(22)26-30-24-13-15-32-25(24)27(31-26)29-16-19-9-11-20(12-10-19)21-6-5-14-28-17-21/h3-15,17-18H,16H2,1-2H3,(H,29,30,31)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497363
PNG
(CHEMBL3189120)
Show SMILES CSc1cnc(nc1NCc1ccc(cc1)-c1cccnc1)-c1ccccc1C(C)C
Show InChI InChI=1S/C26H26N4S/c1-18(2)22-8-4-5-9-23(22)25-29-17-24(31-3)26(30-25)28-15-19-10-12-20(13-11-19)21-7-6-14-27-16-21/h4-14,16-18H,15H2,1-3H3,(H,28,29,30)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497335
PNG
(CHEMBL3181906)
Show SMILES CC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C25H23FN4/c1-17(2)21-7-3-4-8-22(21)24-29-16-23(26)25(30-24)28-14-18-9-11-19(12-10-18)20-6-5-13-27-15-20/h3-13,15-17H,14H2,1-2H3,(H,28,29,30)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497330
PNG
(CHEMBL3183277)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2nc[nH]c2n1
Show InChI InChI=1S/C26H24N6/c1-17(2)21-7-3-4-8-22(21)24-31-25(23-26(32-24)30-16-29-23)28-14-18-9-11-19(12-10-18)20-6-5-13-27-15-20/h3-13,15-17H,14H2,1-2H3,(H2,28,29,30,31,32)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350385
PNG
(US9802904, 59)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C27H27N3/c1-19(2)24-11-7-8-12-25(24)27-28-17-20(3)26(30-27)29-18-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h4-17,19H,18H2,1-3H3,(H,28,29,30)
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n/an/a 120n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350377
PNG
(US9802904, 51)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2ccccc2)c2ccsc2n1
Show InChI InChI=1S/C28H25N3S/c1-19(2)23-10-6-7-11-24(23)27-30-26(25-16-17-32-28(25)31-27)29-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,29,30,31)
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US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497348
PNG
(CHEMBL3185384)
Show SMILES CC(C)c1ccccc1-c1nc(C)c(C)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C27H28N4/c1-18(2)24-9-5-6-10-25(24)27-30-20(4)19(3)26(31-27)29-16-21-11-13-22(14-12-21)23-8-7-15-28-17-23/h5-15,17-18H,16H2,1-4H3,(H,29,30,31)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352015
PNG
(US9802904, 76)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(CC2)c2cnccn2)n1
Show InChI InChI=1S/C24H30N6/c1-17(2)20-6-4-5-7-21(20)24-27-14-18(3)23(29-24)28-15-19-8-12-30(13-9-19)22-16-25-10-11-26-22/h4-7,10-11,14,16-17,19H,8-9,12-13,15H2,1-3H3,(H,27,28,29)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM351941
PNG
(US9802904, 67)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccc(C)c2)n1
Show InChI InChI=1S/C22H25N3/c1-15(2)19-10-5-6-11-20(19)22-23-13-17(4)21(25-22)24-14-18-9-7-8-16(3)12-18/h5-13,15H,14H2,1-4H3,(H,23,24,25)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351934
PNG
(US9802904, 66)
Show SMILES CC(C)c1ccccc1-c1nc(C)c(C)c(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C28H29N3/c1-19(2)25-12-8-9-13-26(25)28-30-21(4)20(3)27(31-28)29-18-22-14-16-24(17-15-22)23-10-6-5-7-11-23/h5-17,19H,18H2,1-4H3,(H,29,30,31)
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n/an/a 140n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351941
PNG
(US9802904, 67)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccc(C)c2)n1
Show InChI InChI=1S/C22H25N3/c1-15(2)19-10-5-6-11-20(19)22-23-13-17(4)21(25-22)24-14-18-9-7-8-16(3)12-18/h5-13,15H,14H2,1-4H3,(H,23,24,25)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350383
PNG
(US9802904, 57)
Show SMILES CC(C)c1ccccc1C1=NC2C=COC2C(NCc2ccc(cc2)-c2ccccc2)=N1
Show InChI InChI=1S/C28H27N3O/c1-19(2)23-10-6-7-11-24(23)27-30-25-16-17-32-26(25)28(31-27)29-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-17,19,25-26H,18H2,1-2H3,(H,29,30,31)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352015
PNG
(US9802904, 76)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(CC2)c2cnccn2)n1
Show InChI InChI=1S/C24H30N6/c1-17(2)20-6-4-5-7-21(20)24-27-14-18(3)23(29-24)28-15-19-8-12-30(13-9-19)22-16-25-10-11-26-22/h4-7,10-11,14,16-17,19H,8-9,12-13,15H2,1-3H3,(H,27,28,29)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497360
PNG
(CHEMBL3187391)
Show SMILES CC(C)c1ccccc1-c1nccc(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C25H24N4/c1-18(2)22-7-3-4-8-23(22)25-27-15-13-24(29-25)28-16-19-9-11-20(12-10-19)21-6-5-14-26-17-21/h3-15,17-18H,16H2,1-2H3,(H,27,28,29)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352027
PNG
(US9802904, 88)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2cc[nH]n2)n1
Show InChI InChI=1S/C24H25N5/c1-16(2)20-6-4-5-7-21(20)24-25-14-17(3)23(28-24)26-15-18-8-10-19(11-9-18)22-12-13-27-29-22/h4-14,16H,15H2,1-3H3,(H,27,29)(H,25,26,28)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351827
PNG
(US9802904, 63)
Show SMILES CC(C)c1ccccc1-c1ncc(N(C)C)c(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C28H30N4/c1-20(2)24-12-8-9-13-25(24)27-30-19-26(32(3)4)28(31-27)29-18-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,19-20H,18H2,1-4H3,(H,29,30,31)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350384
PNG
(US9802904, 58)
Show SMILES CC(C)c1ccccc1C1=NCCC(NCc2ccc(cc2)-c2ccccc2)=N1
Show InChI InChI=1S/C26H27N3/c1-19(2)23-10-6-7-11-24(23)26-27-17-16-25(29-26)28-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,16-18H2,1-2H3,(H,27,28,29)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497349
PNG
(CHEMBL3183657)
Show SMILES CC(C)c1ccccc1-c1nc2CCCc2c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C28H28N4/c1-19(2)23-8-3-4-9-24(23)28-31-26-11-5-10-25(26)27(32-28)30-17-20-12-14-21(15-13-20)22-7-6-16-29-18-22/h3-4,6-9,12-16,18-19H,5,10-11,17H2,1-2H3,(H,30,31,32)
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n/an/a 160n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497337
PNG
(CHEMBL3187106)
Show SMILES Cc1cnc(nc1NCc1ccc(cc1)-c1cccnc1)-c1ccccc1C1CC1
Show InChI InChI=1S/C26H24N4/c1-18-15-28-26(24-7-3-2-6-23(24)21-12-13-21)30-25(18)29-16-19-8-10-20(11-9-19)22-5-4-14-27-17-22/h2-11,14-15,17,21H,12-13,16H2,1H3,(H,28,29,30)
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n/an/a 180n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497320
PNG
(CHEMBL3356515)
Show SMILES Cc1cnc(nc1NCc1ccc(cc1)-n1ccnn1)-c1ccccc1C1CCC1
Show InChI InChI=1S/C24H24N6/c1-17-15-25-24(22-8-3-2-7-21(22)19-5-4-6-19)28-23(17)26-16-18-9-11-20(12-10-18)30-14-13-27-29-30/h2-3,7-15,19H,4-6,16H2,1H3,(H,25,26,28)
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n/an/a 180n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497340
PNG
(CHEMBL3186327)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C29H26N4/c1-20(2)24-9-3-4-10-25(24)29-32-27-12-6-5-11-26(27)28(33-29)31-18-21-13-15-22(16-14-21)23-8-7-17-30-19-23/h3-17,19-20H,18H2,1-2H3,(H,31,32,33)
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n/an/a 180n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352029
PNG
(US9802904, 90)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(C)(C)c2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C28H30N4/c1-19(2)24-10-6-7-11-25(24)27-30-17-20(3)26(31-27)32-28(4,5)23-14-12-21(13-15-23)22-9-8-16-29-18-22/h6-19H,1-5H3,(H,30,31,32)
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US Patent
n/an/a 190n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
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 190n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497312
PNG
(CHEMBL3182461)
Show SMILES CC(C)c1ccccc1-c1ncc(N(C)C)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C27H29N5/c1-19(2)23-9-5-6-10-24(23)26-30-18-25(32(3)4)27(31-26)29-16-20-11-13-21(14-12-20)22-8-7-15-28-17-22/h5-15,17-19H,16H2,1-4H3,(H,29,30,31)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497362
PNG
(CHEMBL3187128)
Show SMILES CC(C)c1ccccc1-c1nc(C)cc(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C26H26N4/c1-18(2)23-8-4-5-9-24(23)26-29-19(3)15-25(30-26)28-16-20-10-12-21(13-11-20)22-7-6-14-27-17-22/h4-15,17-18H,16H2,1-3H3,(H,28,29,30)
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350381
PNG
(US9802904, 55)
Show SMILES CC(C)c1ccccc1C1=NC2CNCCC2C(NCc2ccc(cc2)-c2ccccc2)=N1
Show InChI InChI=1S/C29H32N4/c1-20(2)24-10-6-7-11-25(24)29-32-27-19-30-17-16-26(27)28(33-29)31-18-21-12-14-23(15-13-21)22-8-4-3-5-9-22/h3-15,20,26-27,30H,16-19H2,1-2H3,(H,31,32,33)
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US Patent
n/an/a 220n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351968
PNG
(US9802904, 69)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccs2)n1
Show InChI InChI=1S/C19H21N3S/c1-13(2)16-8-4-5-9-17(16)19-20-11-14(3)18(22-19)21-12-15-7-6-10-23-15/h4-11,13H,12H2,1-3H3,(H,20,21,22)
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n/an/a 220n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352021
PNG
(US9802904, 82)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2cnn[nH]2)n1
Show InChI InChI=1S/C23H24N6/c1-15(2)19-6-4-5-7-20(19)23-24-12-16(3)22(27-23)25-13-17-8-10-18(11-9-17)21-14-26-29-28-21/h4-12,14-15H,13H2,1-3H3,(H,24,25,27)(H,26,28,29)
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The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
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