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Patent code US10294246

Compile Data Set for Download or QSAR

Found 271 hits of Enzyme Inhibition Constant Data   
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
26S proteosome


(Homo sapiens (Human))
BDBM388355
PNG
(US10294246, Compound No. 52)
Show SMILES COc1cc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc(OC)c1OC
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388374
PNG
(US10294246, Compound No. 71)
Show SMILES COc1ccc(CC(C(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c2ccccc2)cc1
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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n/an/a<50n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(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
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388397
PNG
(US10294246, Compound No. 94)
Show SMILES Cc1ccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc2c1C
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(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
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



MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388418
PNG
(US10294246, Compound No. 115 | US10294246, Compoun...)
Show SMILES COc1ccc(CC(=O)N[C@@H](C[C@H]2COc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C19H22BNO5/c1-25-15-8-6-13(7-9-15)10-19(22)21-18(20(23)24)11-14-12-26-17-5-3-2-4-16(14)17/h2-9,14,18,23-24H,10-12H2,1H3,(H,21,22)/t14-,18-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388429
PNG
(US10294246, Compound No. 126)
Show SMILES Cc1c(Cl)ccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
Show InChI InChI=1S/C19H19BClNO4/c1-12-16(21)8-7-15-14(11-26-19(12)15)10-17(20(24)25)22-18(23)9-13-5-3-2-4-6-13/h2-8,11,17,24-25H,9-10H2,1H3,(H,22,23)/t17-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388433
PNG
(US10294246, Compound No. 130)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3C#N)B(O)O)COc12
Show InChI InChI=1S/C20H21BN2O4/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/h2-8,16,18,25-26H,9-10,12H2,1H3,(H,23,24)/t16-,18+/m1/s1
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n/an/a<50n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388309
PNG
(US10294246, Compound No. 6)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H18BNO4/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/h1-9,12,17,22-23H,10-11H2,(H,20,21)/t17-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388310
PNG
( [(1R)-2-(benzofuran-3-yl)-1-[3-(4-methylphenoxy)p...)
Show SMILES Cc1ccc(OCCC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C20H22BNO5/c1-14-6-8-16(9-7-14)26-11-10-20(23)22-19(21(24)25)12-15-13-27-18-5-3-2-4-17(15)18/h2-9,13,19,24-25H,10-12H2,1H3,(H,22,23)/t19-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388318
PNG
(US10294246, Compound No. 15)
Show SMILES COc1cccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c1
Show InChI InChI=1S/C19H20BNO5/c1-25-15-6-4-5-13(9-15)10-19(22)21-18(20(23)24)11-14-12-26-17-8-3-2-7-16(14)17/h2-9,12,18,23-24H,10-11H2,1H3,(H,21,22)/t18-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388321
PNG
(US10294246, Compound No. 18)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cnccn1
Show InChI InChI=1S/C16H16BN3O4/c21-16(8-12-9-18-5-6-19-12)20-15(17(22)23)7-11-10-24-14-4-2-1-3-13(11)14/h1-6,9-10,15,22-23H,7-8H2,(H,20,21)/t15-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388335
PNG
(US10294246, Compound No. 32)
Show SMILES CC(=O)Nc1cccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c1
Show InChI InChI=1S/C20H21BN2O5/c1-13(24)22-16-6-4-5-14(9-16)10-20(25)23-19(21(26)27)11-15-12-28-18-8-3-2-7-17(15)18/h2-9,12,19,26-27H,10-11H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388342
PNG
(US10294246, Compound No. 39)
Show SMILES OCCOc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C20H22BNO6/c23-9-10-27-16-7-5-14(6-8-16)11-20(24)22-19(21(25)26)12-15-13-28-18-4-2-1-3-17(15)18/h1-8,13,19,23,25-26H,9-12H2,(H,22,24)/t19-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388357
PNG
(US10294246, Compound No. 54)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1OC1CCOCC1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388365
PNG
(US10294246, Compound No. 62)
Show SMILES OC[C@H](C(=O)N[C@H](Cc1coc2ccccc12)B(O)O)c1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388369
PNG
(US10294246, Compound No. 66)
Show SMILES CN(C)C(=O)c1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388370
PNG
(US10294246, Compound No. 67)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccc(cc1)-c1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388377
PNG
(US10294246, Compound No. 74 | [(1R)-2-(2,3-dihydro...)
Show SMILES OB(O)[C@H](CC1COc2ccccc12)NC(=O)Cc1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388378
PNG
(US10294246, Compound No. 75)
Show SMILES Cc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388401
PNG
(US10294246, Compound No. 98)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1-c1ccccc1
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388411
PNG
(US10294246, Compound No. 108)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)B(O)O)cc1
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388417
PNG
(US10294246, Compound No. 114)
Show SMILES COc1ccc(CC(=O)N[C@@H](C[C@@H]2COc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C19H22BNO5/c1-25-15-8-6-13(7-9-15)10-19(22)21-18(20(23)24)11-14-12-26-17-5-3-2-4-16(14)17/h2-9,14,18,23-24H,10-12H2,1H3,(H,21,22)/t14-,18+/m1/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388431
PNG
(US10294246, Compound No. 128)
Show SMILES Cc1ccc(C)c2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
Show InChI InChI=1S/C20H22BNO4/c1-13-8-9-14(2)20-19(13)16(12-26-20)11-17(21(24)25)22-18(23)10-15-6-4-3-5-7-15/h3-9,12,17,24-25H,10-11H2,1-2H3,(H,22,23)/t17-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388434
PNG
(US10294246, Compound No. 131)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](C[C@@H]2COc3ccccc23)B(O)O)nc1
Show InChI InChI=1S/C19H23BN2O5/c1-2-26-15-8-7-14(21-11-15)10-19(23)22-18(20(24)25)9-13-12-27-17-6-4-3-5-16(13)17/h3-8,11,13,18,24-25H,2,9-10,12H2,1H3,(H,22,23)/t13-,18+/m1/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388308
PNG
(US10294246, Compound No. 5)
Show SMILES COc1ccc(OCCC(=O)N[C@@H](Cc2ccc(C)cc2)B(O)O)cc1
Show InChI InChI=1S/C19H24BNO5/c1-14-3-5-15(6-4-14)13-18(20(23)24)21-19(22)11-12-26-17-9-7-16(25-2)8-10-17/h3-10,18,23-24H,11-13H2,1-2H3,(H,21,22)/t18-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388324
PNG
(US10294246, Compound No. 21)
Show SMILES CC(=O)Nc1ccc(CC(=O)N[C@@H](Cc2ccc(C)cc2)B(O)O)cc1
Show InChI InChI=1S/C19H23BN2O4/c1-13-3-5-15(6-4-13)11-18(20(25)26)22-19(24)12-16-7-9-17(10-8-16)21-14(2)23/h3-10,18,25-26H,11-12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388327
PNG
(US10294246, Compound No. 24)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H17BF3NO4/c21-19(22,23)15-7-3-1-5-12(15)10-18(25)24-17(20(26)27)9-13-11-28-16-8-4-2-6-14(13)16/h1-8,11,17,26-27H,9-10H2,(H,24,25)/t17-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388331
PNG
(US10294246, Compound No. 28)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H17BF3NO5/c21-19(22,23)29-15-7-3-1-5-12(15)10-18(25)24-17(20(26)27)9-13-11-28-16-8-4-2-6-14(13)16/h1-8,11,17,26-27H,9-10H2,(H,24,25)/t17-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388333
PNG
(US10294246, Compound No. 30)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C20H22BNO5/c1-2-26-16-9-7-14(8-10-16)11-20(23)22-19(21(24)25)12-15-13-27-18-6-4-3-5-17(15)18/h3-10,13,19,24-25H,2,11-12H2,1H3,(H,22,23)/t19-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388360
PNG
(US10294246, Compound No. 57)
Show SMILES OC[C@@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388380
PNG
(US10294246, Compound No. 77)
Show SMILES Cc1cccc2C(C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388396
PNG
(US10294246, Compound No. 93)
Show SMILES CO[C@@H](C(=O)N[C@@H](CC1COc2c1cccc2C)B(O)O)c1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388427
PNG
(US10294246, Compound No. 124)
Show SMILES Cc1cccc2[C@H](C[C@H](NC(=O)Cc3ccccc3)B(O)O)COc12
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+/m1/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM388310
PNG
( [(1R)-2-(benzofuran-3-yl)-1-[3-(4-methylphenoxy)p...)
Show SMILES Cc1ccc(OCCC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C20H22BNO5/c1-14-6-8-16(9-7-14)26-11-10-20(23)22-19(21(24)25)12-15-13-27-18-5-3-2-4-17(15)18/h2-9,13,19,24-25H,10-12H2,1H3,(H,22,23)/t19-/m0/s1
PDB
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MERCK PATENT GMBH

US Patent


Assay Description
Measurement of Beta5 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human constitutive proteasome (1.25 nM...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388314
PNG
(US10294246, Compound No. 11)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)COc1cccnc1
Show InChI InChI=1S/C17H17BN2O5/c21-17(11-24-13-4-3-7-19-9-13)20-16(18(22)23)8-12-10-25-15-6-2-1-5-14(12)15/h1-7,9-10,16,22-23H,8,11H2,(H,20,21)/t16-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388315
PNG
(US10294246, Compound No. 12)
Show SMILES COc1cccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)n1
Show InChI InChI=1S/C18H19BN2O5/c1-25-18-8-4-5-13(20-18)10-17(22)21-16(19(23)24)9-12-11-26-15-7-3-2-6-14(12)15/h2-8,11,16,23-24H,9-10H2,1H3,(H,21,22)/t16-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388323
PNG
(US10294246, Compound No. 20)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ncccn1
Show InChI InChI=1S/C16H16BN3O4/c21-16(9-15-18-6-3-7-19-15)20-14(17(22)23)8-11-10-24-13-5-2-1-4-12(11)13/h1-7,10,14,22-23H,8-9H2,(H,20,21)/t14-/m0/s1
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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388326
PNG
(US10294246, Compound No. 23)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C18H16BF2NO4/c20-18(21,13-6-2-1-3-7-13)17(23)22-16(19(24)25)10-12-11-26-15-9-5-4-8-14(12)15/h1-9,11,16,24-25H,10H2,(H,22,23)/t16-/m0/s1
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388328
PNG
(US10294246, Compound No. 25)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H16BCl2NO4/c20-14-5-3-6-15(21)13(14)9-18(23)22-17(19(24)25)8-11-10-26-16-7-2-1-4-12(11)16/h1-7,10,17,24-25H,8-9H2,(H,22,23)/t17-/m0/s1
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388329
PNG
(US10294246, Compound No. 26)
Show SMILES CC(=O)Nc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)cc1
Show InChI InChI=1S/C20H21BN2O5/c1-13(24)22-16-8-6-14(7-9-16)10-20(25)23-19(21(26)27)11-15-12-28-18-5-3-2-4-17(15)18/h2-9,12,19,26-27H,10-11H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388348
PNG
(US10294246, Compound No. 45)
Show SMILES C[C@@H](C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)c1ccccc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(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
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388358
PNG
(US10294246, Compound No. 55)
Show SMILES OCCCOc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O
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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US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388363
PNG
(US10294246, Compound No. 60)
Show SMILES COc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)c(OC)c1OC
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388366
PNG
(US10294246, Compound No. 63)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1C(=O)N1CCOCC1
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388389
PNG
(US10294246, Compound No. 86)
Show SMILES COc1ccc(CCC(=O)N[C@@H](CC2COc3c2cccc3C)B(O)O)nc1
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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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388395
PNG
(US10294246, Compound No. 92)
Show SMILES COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM388414
PNG
(US10294246, Compound No. 111)
Show SMILES CCO[C@@H](C(=O)N[C@@H](CC1COc2ccccc12)B(O)O)c1ccccc1
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
PDB

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MERCK PATENT GMBH

US Patent


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...


US Patent US10294246 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%