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Compile Data Set for Download or QSAR

Found 82 hits of ic50 data for polymerid = 50007148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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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
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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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
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
3D
3D Structure (crystal)
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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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
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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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
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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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
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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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
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
3D
3D Structure (crystal)
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
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
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
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
3D
3D Structure (crystal)
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
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
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
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
3D
3D Structure (crystal)
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
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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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
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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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
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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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
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
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
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
3D
3D Structure (crystal)
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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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
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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n/an/a 210n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497332
PNG
(CHEMBL3185465)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2cccn2n1
Show InChI InChI=1S/C27H25N5/c1-19(2)23-8-3-4-9-24(23)26-30-27(25-10-6-16-32(25)31-26)29-17-20-11-13-21(14-12-20)22-7-5-15-28-18-22/h3-16,18-19H,17H2,1-2H3,(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
WD repeat-containing protein 48


(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 270n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497333
PNG
(CHEMBL3187675)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccsc2n1
Show InChI InChI=1S/C27H24N4S/c1-18(2)22-7-3-4-8-23(22)26-30-25(24-13-15-32-27(24)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 280n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497351
PNG
(CHEMBL3356514)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnc2)n1
Show InChI InChI=1S/C24H25N5/c1-17(2)21-6-4-5-7-22(21)24-26-14-18(3)23(28-24)27-15-19-8-10-20(11-9-19)29-13-12-25-16-29/h4-14,16-17H,15H2,1-3H3,(H,26,27,28)
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n/an/a 300n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497336
PNG
(CHEMBL3188392)
Show SMILES CC(C)c1ccccc1-c1ncc(N)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C25H25N5/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,14,26H2,1-2H3,(H,28,29,30)
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n/an/a 310n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352012
PNG
(US9802904, 73)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C27H25F3N4/c1-17(2)22-6-4-5-7-23(22)26-32-15-18(3)25(34-26)33-16-19-8-10-20(11-9-19)21-12-13-31-24(14-21)27(28,29)30/h4-15,17H,16H2,1-3H3,(H,32,33,34)
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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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50191328
PNG
(CHEMBL3937487)
Show SMILES O=C1C2OC(=NC2C(=O)c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H11NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9,13,16H
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University of Connecticut Health Center

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based HTS ass...


J Med Chem 59: 9321-9336 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC84TJ
More data for this
Ligand-Target Pair
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497316
PNG
(CHEMBL3356517)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(C)(C)c2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C25H28N6/c1-17(2)21-8-6-7-9-22(21)24-26-16-18(3)23(28-24)29-25(4,5)19-10-12-20(13-11-19)31-15-14-27-30-31/h6-17H,1-5H3,(H,26,28,29)
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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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497316
PNG
(CHEMBL3356517)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(C)(C)c2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C25H28N6/c1-17(2)21-8-6-7-9-22(21)24-26-16-18(3)23(28-24)29-25(4,5)19-10-12-20(13-11-19)31-15-14-27-30-31/h6-17H,1-5H3,(H,26,28,29)
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n/an/a 760n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497356
PNG
(CHEMBL3183116)
Show SMILES CCc1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C28H24N4/c1-2-21-8-3-4-10-24(21)28-31-26-12-6-5-11-25(26)27(32-28)30-18-20-13-15-22(16-14-20)23-9-7-17-29-19-23/h3-17,19H,2,18H2,1H3,(H,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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352017
PNG
(US9802904, 78)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCC2CCN(C2)c2cccnc2)n1
Show InChI InChI=1S/C24H29N5/c1-17(2)21-8-4-5-9-22(21)24-26-13-18(3)23(28-24)27-14-19-10-12-29(16-19)20-7-6-11-25-15-20/h4-9,11,13,15,17,19H,10,12,14,16H2,1-3H3,(H,26,27,28)
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n/an/a 800n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497343
PNG
(CHEMBL3189092)
Show SMILES Cc1cnc(nc1NCc1ccc(cc1)-n1ccnn1)-c1ccccc1C(F)F
Show InChI InChI=1S/C21H18F2N6/c1-14-12-24-21(18-5-3-2-4-17(18)19(22)23)27-20(14)25-13-15-6-8-16(9-7-15)29-11-10-26-28-29/h2-12,19H,13H2,1H3,(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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497358
PNG
(CHEMBL3182829)
Show SMILES CC(C)c1ccccc1-c1nc2CNCCc2c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C28H29N5/c1-19(2)23-7-3-4-8-24(23)28-32-26-18-30-15-13-25(26)27(33-28)31-16-20-9-11-21(12-10-20)22-6-5-14-29-17-22/h3-12,14,17,19,30H,13,15-16,18H2,1-2H3,(H,31,32,33)
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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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50191343
PNG
(CHEMBL3967184)
Show SMILES Fc1ccc(cc1)C1=NC2C(O1)C(=O)c1ccccc1C2=O |t:8|
Show InChI InChI=1S/C17H10FNO3/c18-10-7-5-9(6-8-10)17-19-13-14(20)11-3-1-2-4-12(11)15(21)16(13)22-17/h1-8,13,16H
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Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based HTS ass...


J Med Chem 59: 9321-9336 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC84TJ
More data for this
Ligand-Target Pair
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497341
PNG
(CHEMBL3184172)
Show SMILES COc1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O/c1-32-25-11-5-3-9-23(25)27-30-24-10-4-2-8-22(24)26(31-27)29-17-19-12-14-20(15-13-19)21-7-6-16-28-18-21/h2-16,18H,17H2,1H3,(H,29,30,31)
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n/an/a 940n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497354
PNG
(CHEMBL3183200)
Show SMILES Cc1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C27H22N4/c1-19-7-2-3-9-23(19)27-30-25-11-5-4-10-24(25)26(31-27)29-17-20-12-14-21(15-13-20)22-8-6-16-28-18-22/h2-16,18H,17H2,1H3,(H,29,30,31)
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n/an/a 1.10E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497344
PNG
(CHEMBL3187556)
Show SMILES FC(F)(F)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C27H19F3N4/c28-27(29,30)23-9-3-1-7-21(23)26-33-24-10-4-2-8-22(24)25(34-26)32-16-18-11-13-19(14-12-18)20-6-5-15-31-17-20/h1-15,17H,16H2,(H,32,33,34)
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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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM351954
PNG
(US9802904, 68)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccnc2)n1
Show InChI InChI=1S/C20H22N4/c1-14(2)17-8-4-5-9-18(17)20-22-11-15(3)19(24-20)23-13-16-7-6-10-21-12-16/h4-12,14H,13H2,1-3H3,(H,22,23,24)
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n/an/a 1.30E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497339
PNG
(CHEMBL3188647)
Show SMILES FC(F)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C27H20F2N4/c28-25(29)21-7-1-2-8-22(21)27-32-24-10-4-3-9-23(24)26(33-27)31-16-18-11-13-19(14-12-18)20-6-5-15-30-17-20/h1-15,17,25H,16H2,(H,31,32,33)
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n/an/a 1.40E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497317
PNG
(CHEMBL3188953)
Show SMILES Brc1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C26H19BrN4/c27-23-9-3-1-7-21(23)26-30-24-10-4-2-8-22(24)25(31-26)29-16-18-11-13-19(14-12-18)20-6-5-15-28-17-20/h1-15,17H,16H2,(H,29,30,31)
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n/an/a 1.60E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497361
PNG
(CHEMBL3356111)
Show SMILES FC(F)(F)c1ccccc1-c1nc(NCc2ccc(cc2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C27H19F3N4/c28-27(29,30)23-7-3-1-5-21(23)26-33-24-8-4-2-6-22(24)25(34-26)32-17-18-9-11-19(12-10-18)20-13-15-31-16-14-20/h1-16H,17H2,(H,32,33,34)
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n/an/a 1.90E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497318
PNG
(CHEMBL3187140)
Show SMILES CC(O)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-c2cccnc2)n1
Show InChI InChI=1S/C25H24N4O/c1-17-14-27-25(23-8-4-3-7-22(23)18(2)30)29-24(17)28-15-19-9-11-20(12-10-19)21-6-5-13-26-16-21/h3-14,16,18,30H,15H2,1-2H3,(H,27,28,29)
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n/an/a 2.00E+3n/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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Connecticut Health Center

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay


J Med Chem 59: 9321-9336 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC84TJ
More data for this
Ligand-Target Pair
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497359
PNG
(CHEMBL3184785)
Show SMILES Clc1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C26H19ClN4/c27-23-9-3-1-7-21(23)26-30-24-10-4-2-8-22(24)25(31-26)29-16-18-11-13-19(14-12-18)20-6-5-15-28-17-20/h1-15,17H,16H2,(H,29,30,31)
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n/an/a 2.10E+3n/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
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