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Compile Data Set for Download or QSAR

Found 271 hits Enz. Inhib. hit(s) with all data for entry = 3012   
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
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388347
PNG
(US10294246, Compound No. 44)
Show SMILES CN(C)c1ccc(CC(=O)N[C@@H](Cc2ccc(C)cc2C)B(O)O)cc1 |r|
Show InChI InChI=1S/C20H27BN2O3/c1-14-5-8-17(15(2)11-14)13-19(21(25)26)22-20(24)12-16-6-9-18(10-7-16)23(3)4/h5-11,19,25-26H,12-13H2,1-4H3,(H,22,24)/t19-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388348
PNG
(US10294246, Compound No. 45)
Show SMILES C[C@@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20BNO4/c1-13(14-7-3-2-4-8-14)19(22)21-18(20(23)24)11-15-12-25-17-10-6-5-9-16(15)17/h2-10,12-13,18,23-24H,11H2,1H3,(H,21,22)/t13-,18+/m1/s1
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n/an/a<50n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388351
PNG
(US10294246, Compound No. 48)
Show SMILES COCc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C20H22BNO5/c1-26-12-15-7-3-2-6-14(15)11-20(23)22-19(21(24)25)10-16-13-27-18-9-5-4-8-17(16)18/h2-9,13,19,24-25H,10-12H2,1H3,(H,22,23)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388352
PNG
(US10294246, Compound No. 49)
Show SMILES COCc1cccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c1 |r|
Show InChI InChI=1S/C20H22BNO5/c1-26-12-15-6-4-5-14(9-15)10-20(23)22-19(21(24)25)11-16-13-27-18-8-3-2-7-17(16)18/h2-9,13,19,24-25H,10-12H2,1H3,(H,22,23)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388353
PNG
(US10294246, Compound No. 50)
Show SMILES OCCOc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C20H22BNO6/c23-9-10-27-17-7-3-1-5-14(17)12-20(24)22-19(21(25)26)11-15-13-28-18-8-4-2-6-16(15)18/h1-8,13,19,23,25-26H,9-12H2,(H,22,24)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388354
PNG
(US10294246, Compound No. 51 | [(1R)-2-(benzofuran-...)
Show SMILES COc1ccc(cc1)C(F)(F)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O
Show InChI InChI=1S/C19H18BF2NO5/c1-27-14-8-6-13(7-9-14)19(21,22)18(24)23-17(20(25)26)10-12-11-28-16-5-3-2-4-15(12)16/h2-9,11,17,25-26H,10H2,1H3,(H,23,24)/t17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388355
PNG
(US10294246, Compound No. 52)
Show SMILES COc1cc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc(OC)c1OC |r|
Show InChI InChI=1S/C21H24BNO7/c1-27-17-8-13(9-18(28-2)21(17)29-3)10-20(24)23-19(22(25)26)11-14-12-30-16-7-5-4-6-15(14)16/h4-9,12,19,25-26H,10-11H2,1-3H3,(H,23,24)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388356
PNG
(US10294246, Compound No. 53)
Show SMILES Cc1ccc(C[C@H](NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)B(O)O)c(C)c1 |r|
Show InChI InChI=1S/C20H22BF3N2O4/c1-12-3-6-15(13(2)9-12)11-17(21(29)30)26-18(27)10-14-4-7-16(8-5-14)25-19(28)20(22,23)24/h3-9,17,29-30H,10-11H2,1-2H3,(H,25,28)(H,26,27)/t17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388357
PNG
(US10294246, Compound No. 54)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1OC1CCOCC1 |r|
Show InChI InChI=1S/C23H26BNO6/c26-23(14-16-5-1-3-7-20(16)31-18-9-11-29-12-10-18)25-22(24(27)28)13-17-15-30-21-8-4-2-6-19(17)21/h1-8,15,18,22,27-28H,9-14H2,(H,25,26)/t22-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388358
PNG
(US10294246, Compound No. 55)
Show SMILES OCCCOc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C21H24BNO6/c24-10-5-11-28-18-8-3-1-6-15(18)13-21(25)23-20(22(26)27)12-16-14-29-19-9-4-2-7-17(16)19/h1-4,6-9,14,20,24,26-27H,5,10-13H2,(H,23,25)/t20-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388360
PNG
(US10294246, Compound No. 57)
Show SMILES OC[C@@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20BNO5/c22-11-16(13-6-2-1-3-7-13)19(23)21-18(20(24)25)10-14-12-26-17-9-5-4-8-15(14)17/h1-9,12,16,18,22,24-25H,10-11H2,(H,21,23)/t16-,18+/m1/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388361
PNG
(US10294246, Compound No. 58)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c1 |r|
Show InChI InChI=1S/C20H22BNO6/c1-26-15-7-8-17(27-2)13(9-15)11-20(23)22-19(21(24)25)10-14-12-28-18-6-4-3-5-16(14)18/h3-9,12,19,24-25H,10-11H2,1-2H3,(H,22,23)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388362
PNG
(US10294246, Compound No. 59)
Show SMILES OC[C@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20BNO5/c22-11-16(13-6-2-1-3-7-13)19(23)21-18(20(24)25)10-14-12-26-17-9-5-4-8-15(14)17/h1-9,12,16,18,22,24-25H,10-11H2,(H,21,23)/t16-,18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388363
PNG
(US10294246, Compound No. 60)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c(OC)c1OC |r|
Show InChI InChI=1S/C21H24BNO7/c1-27-17-9-8-13(20(28-2)21(17)29-3)11-19(24)23-18(22(25)26)10-14-12-30-16-7-5-4-6-15(14)16/h4-9,12,18,25-26H,10-11H2,1-3H3,(H,23,24)/t18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388365
PNG
(US10294246, Compound No. 62)
Show SMILES OC[C@H](C(=O)N[C@H](Cc1coc2ccccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20BNO5/c22-11-16(13-6-2-1-3-7-13)19(23)21-18(20(24)25)10-14-12-26-17-9-5-4-8-15(14)17/h1-9,12,16,18,22,24-25H,10-11H2,(H,21,23)/t16-,18+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388366
PNG
(US10294246, Compound No. 63)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H25BN2O6/c27-22(14-16-5-1-2-7-19(16)23(28)26-9-11-31-12-10-26)25-21(24(29)30)13-17-15-32-20-8-4-3-6-18(17)20/h1-8,15,21,29-30H,9-14H2,(H,25,27)/t21-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388367
PNG
(US10294246, Compound No. 64)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccc(cc1)N1CCCC1=O |r|
Show InChI InChI=1S/C22H23BN2O5/c26-21(12-15-7-9-17(10-8-15)25-11-3-6-22(25)27)24-20(23(28)29)13-16-14-30-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,14,20,28-29H,3,6,11-13H2,(H,24,26)/t20-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388368
PNG
(US10294246, Compound No. 65)
Show SMILES CCNC(=O)c1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C21H23BN2O5/c1-2-23-21(26)17-9-4-3-7-14(17)12-20(25)24-19(22(27)28)11-15-13-29-18-10-6-5-8-16(15)18/h3-10,13,19,27-28H,2,11-12H2,1H3,(H,23,26)(H,24,25)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388369
PNG
(US10294246, Compound No. 66)
Show SMILES CN(C)C(=O)c1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r|
Show InChI InChI=1S/C21H23BN2O5/c1-24(2)21(26)17-9-4-3-7-14(17)12-20(25)23-19(22(27)28)11-15-13-29-18-10-6-5-8-16(15)18/h3-10,13,19,27-28H,11-12H2,1-2H3,(H,23,25)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388370
PNG
(US10294246, Compound No. 67)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H22BNO4/c27-24(14-17-10-12-19(13-11-17)18-6-2-1-3-7-18)26-23(25(28)29)15-20-16-30-22-9-5-4-8-21(20)22/h1-13,16,23,28-29H,14-15H2,(H,26,27)/t23-/m0/s1
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Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388371
PNG
(US10294246, Compound No. 68)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H22BNO4/c27-24(23(17-9-3-1-4-10-17)18-11-5-2-6-12-18)26-22(25(28)29)15-19-16-30-21-14-8-7-13-20(19)21/h1-14,16,22-23,28-29H,15H2,(H,26,27)/t22-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388373
PNG
(US10294246, Compound No. 70 | [(1R)-2-(benzofuran-...)
Show SMILES CCO[C@@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1
Show InChI InChI=1S/C20H22BNO5/c1-2-26-19(14-8-4-3-5-9-14)20(23)22-18(21(24)25)12-15-13-27-17-11-7-6-10-16(15)17/h3-11,13,18-19,24-25H,2,12H2,1H3,(H,22,23)/t18-,19+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388374
PNG
(US10294246, Compound No. 71)
Show SMILES COc1ccc(CC(C(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H26BNO5/c1-32-21-13-11-18(12-14-21)15-23(19-7-3-2-4-8-19)26(29)28-25(27(30)31)16-20-17-33-24-10-6-5-9-22(20)24/h2-14,17,23,25,30-31H,15-16H2,1H3,(H,28,29)/t23?,25-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388375
PNG
(US10294246, Compound No. 72)
Show SMILES CCOC(=O)Nc1cccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c1 |r|
Show InChI InChI=1S/C21H23BN2O6/c1-2-29-21(26)23-16-7-5-6-14(10-16)11-20(25)24-19(22(27)28)12-15-13-30-18-9-4-3-8-17(15)18/h3-10,13,19,27-28H,2,11-12H2,1H3,(H,23,26)(H,24,25)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388377
PNG
(US10294246, Compound No. 74 | [(1R)-2-(2,3-dihydro...)
Show SMILES OB(O)[C@H](CC1COc2ccccc12)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H20BNO4/c21-18(10-13-6-2-1-3-7-13)20-17(19(22)23)11-14-12-24-16-9-5-4-8-15(14)16/h1-9,14,17,22-23H,10-12H2,(H,20,21)/t14?,17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388378
PNG
(US10294246, Compound No. 75)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12 |r|
Show InChI InChI=1S/C19H20BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,12,17,23-24H,10-11H2,1H3,(H,21,22)/t17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388379
PNG
(US10294246, Compound No. 76)
Show SMILES CO[C@@H](C(=O)N[C@@H](Cc1coc2c(C)cccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C20H22BNO5/c1-13-7-6-10-16-15(12-27-18(13)16)11-17(21(24)25)22-20(23)19(26-2)14-8-4-3-5-9-14/h3-10,12,17,19,24-25H,11H2,1-2H3,(H,22,23)/t17-,19+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388380
PNG
(US10294246, Compound No. 77)
Show SMILES Cc1cccc2C(C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12 |r|
Show InChI InChI=1S/C19H22BNO4/c1-13-6-5-9-16-15(12-25-19(13)16)11-17(20(23)24)21-18(22)10-14-7-3-2-4-8-14/h2-9,15,17,23-24H,10-12H2,1H3,(H,21,22)/t15?,17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388381
PNG
(US10294246, Compound No. 78)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](Cc2coc3c(C)cccc23)B(O)O)c1 |r|
Show InChI InChI=1S/C21H24BNO6/c1-13-5-4-6-17-15(12-29-21(13)17)10-19(22(25)26)23-20(24)11-14-9-16(27-2)7-8-18(14)28-3/h4-9,12,19,25-26H,10-11H2,1-3H3,(H,23,24)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388382
PNG
(US10294246, Compound No. 79)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)[C@H](CO)c3ccccc3)B(O)O)coc12 |r|
Show InChI InChI=1S/C20H22BNO5/c1-13-6-5-9-16-15(12-27-19(13)16)10-18(21(25)26)22-20(24)17(11-23)14-7-3-2-4-8-14/h2-9,12,17-18,23,25-26H,10-11H2,1H3,(H,22,24)/t17-,18+/m1/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388385
PNG
(US10294246, Compound No. 82)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2coc3c(C)cccc23)B(O)O)cc1 |r|
Show InChI InChI=1S/C20H22BNO5/c1-13-4-3-5-17-15(12-27-20(13)17)11-18(21(24)25)22-19(23)10-14-6-8-16(26-2)9-7-14/h3-9,12,18,24-25H,10-11H2,1-2H3,(H,22,23)/t18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388386
PNG
(US10294246, Compound No. 83)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)[C@@H](CO)c3ccccc3)B(O)O)coc12 |r|
Show InChI InChI=1S/C20H22BNO5/c1-13-6-5-9-16-15(12-27-19(13)16)10-18(21(25)26)22-20(24)17(11-23)14-7-3-2-4-8-14/h2-9,12,17-18,23,25-26H,10-11H2,1H3,(H,22,24)/t17-,18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388388
PNG
(US10294246, Compound No. 85)
Show SMILES OB(O)[C@H](Cc1coc2c(Cl)cccc12)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17BClNO4/c20-15-8-4-7-14-13(11-25-18(14)15)10-16(19(23)24)21-17(22)9-12-5-2-1-3-6-12/h1-8,11,16,23-24H,9-10H2,(H,21,22)/t16-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388389
PNG
(US10294246, Compound No. 86)
Show SMILES COc1ccc(CCC(=O)N[C@@H](CC2COc3c2cccc3C)B(O)O)nc1 |r|
Show InChI InChI=1S/C20H25BN2O5/c1-13-4-3-5-17-14(12-28-20(13)17)10-18(21(25)26)23-19(24)9-7-15-6-8-16(27-2)11-22-15/h3-6,8,11,14,18,25-26H,7,9-10,12H2,1-2H3,(H,23,24)/t14?,18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388392
PNG
(US10294246, Compound No. 89)
Show SMILES COc1ccc(CC(=O)N[C@@H](C[C@@H]2COc3c2cccc3C)B(O)O)cc1 |r|
Show InChI InChI=1S/C20H24BNO5/c1-13-4-3-5-17-15(12-27-20(13)17)11-18(21(24)25)22-19(23)10-14-6-8-16(26-2)9-7-14/h3-9,15,18,24-25H,10-12H2,1-2H3,(H,22,23)/t15-,18+/m1/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388393
PNG
(US10294246, Compound No. 90)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H17BN2O4/c21-11-14-6-2-1-5-13(14)10-19(23)22-18(20(24)25)9-15-12-26-17-8-4-3-7-16(15)17/h1-8,12,18,24-25H,9-10H2,(H,22,23)/t18-/m0/s1
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Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388394
PNG
(US10294246, Compound No. 91)
Show SMILES CC(C)(O)c1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1 |r|
Show InChI InChI=1S/C21H24BNO5/c1-21(2,25)16-9-7-14(8-10-16)11-20(24)23-19(22(26)27)12-15-13-28-18-6-4-3-5-17(15)18/h3-10,13,19,25-27H,11-12H2,1-2H3,(H,23,24)/t19-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388395
PNG
(US10294246, Compound No. 92)
Show SMILES COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12 |r|
Show InChI InChI=1S/C19H20BNO5/c1-25-16-9-5-8-15-14(12-26-19(15)16)11-17(20(23)24)21-18(22)10-13-6-3-2-4-7-13/h2-9,12,17,23-24H,10-11H2,1H3,(H,21,22)/t17-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388396
PNG
(US10294246, Compound No. 93)
Show SMILES CO[C@@H](C(=O)N[C@@H](CC1COc2c1cccc2C)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C20H24BNO5/c1-13-7-6-10-16-15(12-27-18(13)16)11-17(21(24)25)22-20(23)19(26-2)14-8-4-3-5-9-14/h3-10,15,17,19,24-25H,11-12H2,1-2H3,(H,22,23)/t15?,17-,19+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388397
PNG
(US10294246, Compound No. 94)
Show SMILES Cc1ccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc2c1C |r|
Show InChI InChI=1S/C20H22BNO4/c1-13-8-9-17-16(12-26-20(17)14(13)2)11-18(21(24)25)22-19(23)10-15-6-4-3-5-7-15/h3-9,12,18,24-25H,10-11H2,1-2H3,(H,22,23)/t18-/m0/s1
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Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388398
PNG
(US10294246, Compound No. 95)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2coc3c(C)c(C)ccc23)B(O)O)nc1 |r|
Show InChI InChI=1S/C21H25BN2O5/c1-13-4-8-18-15(12-29-21(18)14(13)2)10-19(22(26)27)24-20(25)9-6-16-5-7-17(28-3)11-23-16/h4-5,7-8,11-12,19,26-27H,6,9-10H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388401
PNG
(US10294246, Compound No. 98)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H22BNO4/c27-24(15-18-10-4-5-11-20(18)17-8-2-1-3-9-17)26-23(25(28)29)14-19-16-30-22-13-7-6-12-21(19)22/h1-13,16,23,28-29H,14-15H2,(H,26,27)/t23-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388404
PNG
(US10294246, Compound No. 101)
Show SMILES Cc1ccc2C(C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc2c1C |r|
Show InChI InChI=1S/C20H24BNO4/c1-13-8-9-17-16(12-26-20(17)14(13)2)11-18(21(24)25)22-19(23)10-15-6-4-3-5-7-15/h3-9,16,18,24-25H,10-12H2,1-2H3,(H,22,23)/t16?,18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388407
PNG
(US10294246, Compound No. 104)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)Cc3ccccc3C#N)B(O)O)coc12 |r|
Show InChI InChI=1S/C20H19BN2O4/c1-13-5-4-8-17-16(12-27-20(13)17)9-18(21(25)26)23-19(24)10-14-6-2-3-7-15(14)11-22/h2-8,12,18,25-26H,9-10H2,1H3,(H,23,24)/t18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388408
PNG
(US10294246, Compound No. 105)
Show SMILES OB(O)[C@H](C[C@@H]1COc2ccccc12)NC(=O)Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BN2O4/c21-11-14-6-2-1-5-13(14)10-19(23)22-18(20(24)25)9-15-12-26-17-8-4-3-7-16(15)17/h1-8,15,18,24-25H,9-10,12H2,(H,22,23)/t15-,18+/m1/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388409
PNG
(US10294246, Compound No. 106)
Show SMILES C[C@H](C(=O)N[C@@H](C[C@H]1COc2ccccc12)B(O)O)c1ccccc1C(=O)N(C)C |r|
Show InChI InChI=1S/C22H27BN2O5/c1-14(16-8-4-5-10-18(16)22(27)25(2)3)21(26)24-20(23(28)29)12-15-13-30-19-11-7-6-9-17(15)19/h4-11,14-15,20,28-29H,12-13H2,1-3H3,(H,24,26)/t14-,15-,20-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388411
PNG
(US10294246, Compound No. 108)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)B(O)O)cc1 |r|
Show InChI InChI=1S/C19H20BNO5/c1-25-15-8-6-13(7-9-15)10-19(22)21-18(20(23)24)12-16-11-14-4-2-3-5-17(14)26-16/h2-9,11,18,23-24H,10,12H2,1H3,(H,21,22)/t18-/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388412
PNG
(US10294246, Compound No. 109)
Show SMILES CCO[C@@H](C(=O)N[C@@H](CC1COc2c1cccc2C)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C21H26BNO5/c1-3-27-20(15-9-5-4-6-10-15)21(24)23-18(22(25)26)12-16-13-28-19-14(2)8-7-11-17(16)19/h4-11,16,18,20,25-26H,3,12-13H2,1-2H3,(H,23,24)/t16?,18-,20+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388414
PNG
(US10294246, Compound No. 111)
Show SMILES CCO[C@@H](C(=O)N[C@@H](CC1COc2ccccc12)B(O)O)c1ccccc1 |r|
Show InChI InChI=1S/C20H24BNO5/c1-2-26-19(14-8-4-3-5-9-14)20(23)22-18(21(24)25)12-15-13-27-17-11-7-6-10-16(15)17/h3-11,15,18-19,24-25H,2,12-13H2,1H3,(H,22,23)/t15?,18-,19+/m0/s1
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM388415
PNG
(US10294246, Compound No. 112 | [2-(benzofuran-3-yl...)
Show SMILES OB(O)C(Cc1coc2ccccc12)NC(=O)Cc1ccccn1
Show InChI InChI=1S/C17H17BN2O4/c21-17(10-13-5-3-4-8-19-13)20-16(18(22)23)9-12-11-24-15-7-2-1-6-14(12)15/h1-8,11,16,22-23H,9-10H2,(H,20,21)
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Schering-Plough Research Institute



Assay Description
Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and se...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2V40XHN
More data for this
Ligand-Target Pair
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