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Patent code US10669289

Compile Data Set for Download or QSAR

Found 209 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
26S proteosome


(Homo sapiens (Human))
BDBM446619
PNG
(US10669289, Compound 26)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2ccccc2)B(O)O)c(C)c1
Show InChI InChI=1S/C21H25BN2O4/c1-4-21(26)24(18-8-6-5-7-9-18)14-20(25)23-19(22(27)28)13-17-11-10-15(2)12-16(17)3/h4-12,19,27-28H,1,13-14H2,2-3H3,(H,23,25)/t19-/m0/s1
PDB

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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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446605
PNG
(US10669289, Compound 12)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)C#C
Show InChI InChI=1S/C17H23BN2O4/c1-5-17(22)20(6-2)11-16(21)19-15(18(23)24)10-14-8-7-12(3)9-13(14)4/h1,7-9,15,23-24H,6,10-11H2,2-4H3,(H,19,21)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446626
PNG
(US10669289, Compound 33)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)C=C
Show InChI InChI=1S/C16H23BN2O4/c1-5-16(21)19(4)10-15(20)18-14(17(22)23)9-13-7-6-11(2)8-12(13)3/h5-8,14,22-23H,1,9-10H2,2-4H3,(H,18,20)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446635
PNG
(US10669289, Compound 42)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2cc(F)ccc2F)B(O)O)c(C)c1
Show InChI InChI=1S/C21H23BF2N2O4/c1-4-21(28)26(18-11-16(23)7-8-17(18)24)12-20(27)25-19(22(29)30)10-15-6-5-13(2)9-14(15)3/h4-9,11,19,29-30H,1,10,12H2,2-3H3,(H,25,27)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446656
PNG
(US10669289, Compound 63)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(CC#N)C(=O)C=C)B(O)O)cc1C
Show InChI InChI=1S/C17H22BN3O4/c1-4-17(23)21(8-7-19)11-16(22)20-15(18(24)25)10-14-6-5-12(2)13(3)9-14/h4-6,9,15,24-25H,1,8,10-11H2,2-3H3,(H,20,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446658
PNG
(US10669289, Compound 65)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C15H19BCl2N2O4/c1-3-15(22)20(4-2)9-14(21)19-13(16(23)24)8-10-5-6-11(17)12(18)7-10/h3,5-7,13,23-24H,1,4,8-9H2,2H3,(H,19,21)/t13-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446663
PNG
(US10669289, Compound 70)
Show SMILES OB(O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(C1CC1)C(=O)C=C
Show InChI InChI=1S/C16H19BCl2N2O4/c1-2-16(23)21(12-5-6-12)9-15(22)20-14(17(24)25)7-10-3-4-11(18)8-13(10)19/h2-4,8,12,14,24-25H,1,5-7,9H2,(H,20,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446670
PNG
(US10669289, Compound 77)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C13H19BN2O4S/c1-3-13(18)16(4-2)8-12(17)15-11(14(19)20)7-10-5-6-21-9-10/h3,5-6,9,11,19-20H,1,4,7-8H2,2H3,(H,15,17)/t11-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446671
PNG
(US10669289, Compound 78)
Show SMILES OB(O)[C@H](Cc1ccsc1)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C17H18BFN2O4S/c1-2-17(23)21(14-6-4-3-5-13(14)19)10-16(22)20-15(18(24)25)9-12-7-8-26-11-12/h2-8,11,15,24-25H,1,9-10H2,(H,20,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446680
PNG
(US10669289, Compound 87)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2ccccc2Cl)B(O)O)c(C)c1
Show InChI InChI=1S/C21H24BClN2O4/c1-4-21(27)25(18-8-6-5-7-17(18)23)13-20(26)24-19(22(28)29)12-16-10-9-14(2)11-15(16)3/h4-11,19,28-29H,1,12-13H2,2-3H3,(H,24,26)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446685
PNG
(US10669289, Compound 92)
Show SMILES OB(O)[C@H](Cc1ccsc1)NC(=O)CN(C(=O)C=C)c1ccccc1
Show InChI InChI=1S/C17H19BN2O4S/c1-2-17(22)20(14-6-4-3-5-7-14)11-16(21)19-15(18(23)24)10-13-8-9-25-12-13/h2-9,12,15,23-24H,1,10-11H2,(H,19,21)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446602
PNG
(US10669289, Compound 9)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2ccc(OC(F)(F)F)cc2)B(O)O)c(C)c1
Show InChI InChI=1S/C22H24BF3N2O5/c1-4-21(30)28(17-7-9-18(10-8-17)33-22(24,25)26)13-20(29)27-19(23(31)32)12-16-6-5-14(2)11-15(16)3/h4-11,19,31-32H,1,12-13H2,2-3H3,(H,27,29)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446604
PNG
(US10669289, Compound 11)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)C#C
Show InChI InChI=1S/C16H21BN2O4/c1-5-16(21)19(4)10-15(20)18-14(17(22)23)9-13-7-6-11(2)8-12(13)3/h1,6-8,14,22-23H,9-10H2,2-4H3,(H,18,20)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446608
PNG
(US10669289, Compound 15)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)S(=O)(=O)C=C
Show InChI InChI=1S/C15H23BN2O5S/c1-5-24(22,23)18(4)10-15(19)17-14(16(20)21)9-13-7-6-11(2)8-12(13)3/h5-8,14,20-21H,1,9-10H2,2-4H3,(H,17,19)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446613
PNG
(US10669289, Compound 20)
Show SMILES CC#CC(=O)N(C)CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O
Show InChI InChI=1S/C17H23BN2O4/c1-5-6-17(22)20(4)11-16(21)19-15(18(23)24)10-14-8-7-12(2)9-13(14)3/h7-9,15,23-24H,10-11H2,1-4H3,(H,19,21)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446629
PNG
(US10669289, Compound 36)
Show SMILES CCN(CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O)C(=O)C=C
Show InChI InChI=1S/C17H21BN2O5/c1-3-17(22)20(4-2)10-16(21)19-15(18(23)24)9-12-11-25-14-8-6-5-7-13(12)14/h3,5-8,11,15,23-24H,1,4,9-10H2,2H3,(H,19,21)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446637
PNG
(US10669289, Compound 44)
Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C19H20BFN2O4/c1-2-19(25)23(16-11-7-6-10-15(16)21)13-18(24)22-17(20(26)27)12-14-8-4-3-5-9-14/h2-11,17,26-27H,1,12-13H2,(H,22,24)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446675
PNG
(US10669289, Compound 82)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc2ccccc2c1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C18H21BN2O4/c1-3-18(23)21(2)12-17(22)20-16(19(24)25)11-13-8-9-14-6-4-5-7-15(14)10-13/h3-10,16,24-25H,1,11-12H2,2H3,(H,20,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446678
PNG
(US10669289, Compound 85)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)B(O)O)C(=O)C=C
Show InChI InChI=1S/C14H17BCl2N2O4/c1-3-14(21)19(2)8-13(20)18-12(15(22)23)6-9-4-5-10(16)7-11(9)17/h3-5,7,12,22-23H,1,6,8H2,2H3,(H,18,20)/t12-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446683
PNG
(US10669289, Compound 90)
Show SMILES OB(O)[C@H](Cc1ccsc1)NC(=O)CN(C1CC1)C(=O)C=C
Show InChI InChI=1S/C14H19BN2O4S/c1-2-14(19)17(11-3-4-11)8-13(18)16-12(15(20)21)7-10-5-6-22-9-10/h2,5-6,9,11-12,20-21H,1,3-4,7-8H2,(H,16,18)/t12-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446697
PNG
(US10669289, Compound 104)
Show SMILES OB(O)[C@H](Cc1cccs1)NC(=O)CN(C(=O)C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BBrN2O4S/c1-2-17(23)21(13-7-5-12(19)6-8-13)11-16(22)20-15(18(24)25)10-14-4-3-9-26-14/h2-9,15,24-25H,1,10-11H2,(H,20,22)/t15-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446600
PNG
(US10669289, Compound 7)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C#C)c2ccccc2)B(O)O)c(C)c1
Show InChI InChI=1S/C21H23BN2O4/c1-4-21(26)24(18-8-6-5-7-9-18)14-20(25)23-19(22(27)28)13-17-11-10-15(2)12-16(17)3/h1,5-12,19,27-28H,13-14H2,2-3H3,(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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446636
PNG
(US10669289, Compound 43)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2c(F)cccc2F)B(O)O)c(C)c1
Show InChI InChI=1S/C21H23BF2N2O4/c1-4-20(28)26(21-16(23)6-5-7-17(21)24)12-19(27)25-18(22(29)30)11-15-9-8-13(2)10-14(15)3/h4-10,18,29-30H,1,11-12H2,2-3H3,(H,25,27)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446653
PNG
(US10669289, Compound 60)
Show SMILES OB(O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(CC(F)(F)F)C(=O)C=C
Show InChI InChI=1S/C15H16BCl2F3N2O4/c1-2-14(25)23(8-15(19,20)21)7-13(24)22-12(16(26)27)5-9-3-4-10(17)6-11(9)18/h2-4,6,12,26-27H,1,5,7-8H2,(H,22,24)/t12-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446664
PNG
(US10669289, Compound 71)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C2CC2)C(=O)C=C)B(O)O)cc1C
Show InChI InChI=1S/C18H25BN2O4/c1-4-18(23)21(15-7-8-15)11-17(22)20-16(19(24)25)10-14-6-5-12(2)13(3)9-14/h4-6,9,15-16,24-25H,1,7-8,10-11H2,2-3H3,(H,20,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446691
PNG
(US10669289, Compound 98)
Show SMILES OB(O)[C@H](Cc1cccc(F)c1)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C19H19BF2N2O4/c1-2-19(26)24(16-9-4-3-8-15(16)22)12-18(25)23-17(20(27)28)11-13-6-5-7-14(21)10-13/h2-10,17,27-28H,1,11-12H2,(H,23,25)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446694
PNG
(US10669289, Compound 101)
Show SMILES OB(O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C20H22BFN2O4/c1-2-20(26)24(17-11-7-6-10-16(17)22)14-19(25)23-18(21(27)28)13-12-15-8-4-3-5-9-15/h2-11,18,27-28H,1,12-14H2,(H,23,25)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446609
PNG
(US10669289, Compound 16)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)c(C)c1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C16H23BN2O4/c1-5-16(21)19(4)10-15(20)18-14(17(22)23)9-13-7-6-11(2)12(3)8-13/h5-8,14,22-23H,1,9-10H2,2-4H3,(H,18,20)/t14-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446616
PNG
(US10669289, Compound 23)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)\C=C\C
Show InChI InChI=1S/C18H27BN2O4/c1-5-7-18(23)21(6-2)12-17(22)20-16(19(24)25)11-15-9-8-13(3)10-14(15)4/h5,7-10,16,24-25H,6,11-12H2,1-4H3,(H,20,22)/b7-5+/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446622
PNG
(US10669289, Compound 29)
Show SMILES CCN(CN(=O)CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)S(=O)(=O)C=C
Show InChI InChI=1S/C17H27BN3O6S/c1-5-21(28(26,27)6-2)12-20(25)11-17(22)19-16(18(23)24)10-15-8-7-13(3)9-14(15)4/h6-9,16,23-24H,2,5,10-12H2,1,3-4H3,(H,19,22)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446643
PNG
(US10669289, Compound 50)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)\C=C\C(=O)OC
Show InChI InChI=1S/C19H27BN2O6/c1-5-22(18(24)8-9-19(25)28-4)12-17(23)21-16(20(26)27)11-15-7-6-13(2)10-14(15)3/h6-10,16,26-27H,5,11-12H2,1-4H3,(H,21,23)/b9-8+/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446659
PNG
(US10669289, Compound 66)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C14H17BCl2N2O4/c1-3-14(21)19(2)8-13(20)18-12(15(22)23)7-9-4-5-10(16)11(17)6-9/h3-6,12,22-23H,1,7-8H2,2H3,(H,18,20)/t12-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446687
PNG
(US10669289, Compound 94)
Show SMILES CCc1cccc(c1)N(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C19H23BN2O4S/c1-3-14-6-5-7-16(10-14)22(19(24)4-2)12-18(23)21-17(20(25)26)11-15-8-9-27-13-15/h4-10,13,17,25-26H,2-3,11-12H2,1H3,(H,21,23)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446692
PNG
(US10669289, Compound 99)
Show SMILES COc1ccc(cc1OC)N(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C19H23BN2O6S/c1-4-19(24)22(14-5-6-15(27-2)16(10-14)28-3)11-18(23)21-17(20(25)26)9-13-7-8-29-12-13/h4-8,10,12,17,25-26H,1,9,11H2,2-3H3,(H,21,23)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446594
PNG
(US10669289, Compound 1)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2ccccc2F)B(O)O)c(C)c1
Show InChI InChI=1S/C21H24BFN2O4/c1-4-21(27)25(18-8-6-5-7-17(18)23)13-20(26)24-19(22(28)29)12-16-10-9-14(2)11-15(16)3/h4-11,19,28-29H,1,12-13H2,2-3H3,(H,24,26)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446597
PNG
(US10669289, Compound 4)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2cccc(F)c2)B(O)O)c(C)c1
Show InChI InChI=1S/C21H24BFN2O4/c1-4-21(27)25(18-7-5-6-17(23)12-18)13-20(26)24-19(22(28)29)11-16-9-8-14(2)10-15(16)3/h4-10,12,19,28-29H,1,11,13H2,2-3H3,(H,24,26)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446649
PNG
(US10669289, Compound 56)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(CC#N)C(=O)C=C)B(O)O)c(C)c1
Show InChI InChI=1S/C17H22BN3O4/c1-4-17(23)21(8-7-19)11-16(22)20-15(18(24)25)10-14-6-5-12(2)9-13(14)3/h4-6,9,15,24-25H,1,8,10-11H2,2-3H3,(H,20,22)/t15-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446674
PNG
(US10669289, Compound 81)
Show SMILES CCN(CC(=O)N[C@@H](Cc1ccc2ccccc2c1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C19H23BN2O4/c1-3-19(24)22(4-2)13-18(23)21-17(20(25)26)12-14-9-10-15-7-5-6-8-16(15)11-14/h3,5-11,17,25-26H,1,4,12-13H2,2H3,(H,21,23)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446681
PNG
(US10669289, Compound 88)
Show SMILES Cc1ccc(CC(NC(=O)CNC(=O)C=C)B(O)O)cc1C
Show InChI InChI=1S/C15H21BN2O4/c1-4-14(19)17-9-15(20)18-13(16(21)22)8-12-6-5-10(2)11(3)7-12/h4-7,13,21-22H,1,8-9H2,2-3H3,(H,17,19)(H,18,20)
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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446689
PNG
(US10669289, Compound 96)
Show SMILES CCc1ccc(cc1)N(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C19H23BN2O4S/c1-3-14-5-7-16(8-6-14)22(19(24)4-2)12-18(23)21-17(20(25)26)11-15-9-10-27-13-15/h4-10,13,17,25-26H,2-3,11-12H2,1H3,(H,21,23)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446695
PNG
(US10669289, Compound 102)
Show SMILES CN(C)C(=O)c1cccc(c1)N(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C20H24BN3O5S/c1-4-19(26)24(16-7-5-6-15(11-16)20(27)23(2)3)12-18(25)22-17(21(28)29)10-14-8-9-30-13-14/h4-9,11,13,17,28-29H,1,10,12H2,2-3H3,(H,22,25)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446696
PNG
(US10669289, Compound 103)
Show SMILES CN(C)C(=O)c1ccc(cc1)N(CC(=O)N[C@@H](Cc1ccsc1)B(O)O)C(=O)C=C
Show InChI InChI=1S/C20H24BN3O5S/c1-4-19(26)24(16-7-5-15(6-8-16)20(27)23(2)3)12-18(25)22-17(21(28)29)11-14-9-10-30-13-14/h4-10,13,17,28-29H,1,11-12H2,2-3H3,(H,22,25)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446596
PNG
(US10669289, Compound 10 | US10669289, Compound 3)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)c(C)c1)B(O)O)S(=O)(=O)C=C
Show InChI InChI=1S/C15H23BN2O5S/c1-5-24(22,23)18(4)10-15(19)17-14(16(20)21)9-13-7-6-11(2)12(3)8-13/h5-8,14,20-21H,1,9-10H2,2-4H3,(H,17,19)/t14-/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446606
PNG
(US10669289, Compound 13)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)C(=O)\C=C\Cl
Show InChI InChI=1S/C16H22BClN2O4/c1-11-4-5-13(12(2)8-11)9-14(17(23)24)19-15(21)10-20(3)16(22)6-7-18/h4-8,14,23-24H,9-10H2,1-3H3,(H,19,21)/b7-6+/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446634
PNG
(US10669289, Compound 41)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(C(=O)C=C)c2cccc(F)c2F)B(O)O)c(C)c1
Show InChI InChI=1S/C21H23BF2N2O4/c1-4-20(28)26(17-7-5-6-16(23)21(17)24)12-19(27)25-18(22(29)30)11-15-9-8-13(2)10-14(15)3/h4-10,18,29-30H,1,11-12H2,2-3H3,(H,25,27)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446648
PNG
(US10669289, Compound 55)
Show SMILES OB(O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C19H19BClFN2O4/c1-2-19(26)24(16-6-4-3-5-15(16)22)12-18(25)23-17(20(27)28)11-13-7-9-14(21)10-8-13/h2-10,17,27-28H,1,11-12H2,(H,23,25)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446654
PNG
(US10669289, Compound 61)
Show SMILES Cc1ccc(C[C@H](NC(=O)CN(CC(F)(F)F)C(=O)C=C)B(O)O)cc1C
Show InChI InChI=1S/C17H22BF3N2O4/c1-4-16(25)23(10-17(19,20)21)9-15(24)22-14(18(26)27)8-13-6-5-11(2)12(3)7-13/h4-7,14,26-27H,1,8-10H2,2-3H3,(H,22,24)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446667
PNG
(US10669289, Compound 74)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccc(C)c(C)c1C)B(O)O)C(=O)C=C
Show InChI InChI=1S/C17H25BN2O4/c1-6-17(22)20(5)10-16(21)19-15(18(23)24)9-14-8-7-11(2)12(3)13(14)4/h6-8,15,23-24H,1,9-10H2,2-5H3,(H,19,21)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446679
PNG
(US10669289, Compound 86)
Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)CN(C(=O)C=C)c1ccccc1F
Show InChI InChI=1S/C21H20BFN2O5/c1-2-21(27)25(17-9-5-4-8-16(17)23)12-20(26)24-19(22(28)29)11-14-13-30-18-10-6-3-7-15(14)18/h2-10,13,19,28-29H,1,11-12H2,(H,24,26)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM446688
PNG
(US10669289, Compound 95 | [(1R)-1-[[2-(3,5-dichlor...)
Show SMILES OB(O)[C@H](Cc1ccsc1)NC(=O)CN(C(=O)C=C)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H17BCl2N2O4S/c1-2-17(24)22(14-7-12(19)6-13(20)8-14)9-16(23)21-15(18(25)26)5-11-3-4-27-10-11/h2-4,6-8,10,15,25-26H,1,5,9H2,(H,21,23)/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 immuno proteasome (0.25 nM) and s...


US Patent US10669289 (2020)

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