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Patent code US11033547

Compile Data Set for Download or QSAR
Found 127 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
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503414
PNG
((5P)-6-amino-2-[(1S)-1-amino-1,3- dihydrospiro[ind...)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=C(Cl)C(Cl)=CCC2)c(n1)C(N)=O
Show InChI InChI=1S/C24H26Cl2N6O/c25-16-7-3-6-15(18(16)26)17-19(22(29)33)30-23(31-21(17)28)32-10-8-24(9-11-32)12-13-4-1-2-5-14(13)20(24)27/h1-2,4-5,7,20H,3,6,8-12,27H2,(H2,29,33)(H2,28,30,31)/t20-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503391
PNG
((5P)-2-[(3S,4S)-4-amino-3-methyl- 2-oxa-8-azaspiro...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C21H25Cl2N5O2/c1-11-15(13-4-3-5-14(22)16(13)23)17(19(25)29)27-20(26-11)28-8-6-21(7-9-28)10-30-12(2)18(21)24/h3-5,12,18H,6-10,24H2,1-2H3,(H2,25,29)/t12-,18+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503376
PNG
((4M)-2-(4-amino-4-methylpiperidin- 1-yl)-6-chloro-...)
Show SMILES CC1(N)CCN(CC1)c1nc(Cl)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H18Cl3N5O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503415
PNG
((5M)-6-amino-2-[(1S)-1-amino-1,3- dihydrospiro[ind...)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=CC=C[C@H](Cl)[C@@H]2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C24H26Cl2N6O/c25-16-7-3-6-15(18(16)26)17-19(22(29)33)30-23(31-21(17)28)32-10-8-24(9-11-32)12-13-4-1-2-5-14(13)20(24)27/h1-7,16,18,20H,8-12,27H2,(H2,29,33)(H2,28,30,31)/t16-,18+,20+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503410
PNG
((5P)-2-[(1R)-1-amino-8- azaspiro[4.5]decan-8-yl]-5...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C21H25Cl2N5O/c1-12-16(13-4-2-5-14(22)17(13)23)18(19(25)29)27-20(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29)/t15-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503383
PNG
(2-[(3S,4S)-4-amino-3-methyl-2- oxa-8-azaspiro[4.5]...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C21H25Cl2N5O2/c1-11-15(13-4-3-5-14(22)16(13)23)17(19(25)29)27-20(26-11)28-8-6-21(7-9-28)10-30-12(2)18(21)24/h3-5,12,18H,6-10,24H2,1-2H3,(H2,25,29)/t12-,18+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503395
PNG
((5P)-2-[(3aR,6aS)-3a- (aminomethyl)-octahydro- cyc...)
Show SMILES NC[C@@]12CCC[C@@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-5-1-4-11(14(12)21)13-15(17(24)28)25-18(26-16(13)23)27-7-10-3-2-6-19(10,8-22)9-27/h1,4-5,10H,2-3,6-9,22H2,(H2,24,28)(H2,23,25,26)/t10-,19-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503364
PNG
((5P)-6-amino-2-[(3S,4S)-4-amino- 3-methyl-2-oxa-8-...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N6O2/c1-10-16(23)20(9-30-10)5-7-28(8-6-20)19-26-15(18(25)29)13(17(24)27-19)11-3-2-4-12(21)14(11)22/h2-4,10,16H,5-9,23H2,1H3,(H2,25,29)(H2,24,26,27)/t10-,16+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503316
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-6-chloro-5-(2...)
Show SMILES CC1(N)CCN(CC1)c1nc(Cl)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H18Cl3N5O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503393
PNG
((5M)-2-[(1R)-1-amino-3,3-difluoro- 8-azaspiro[4.5]...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C21H23Cl2F2N5O/c1-11-15(12-3-2-4-13(22)16(12)23)17(18(27)31)29-19(28-11)30-7-5-20(6-8-30)10-21(24,25)9-14(20)26/h2-4,14H,5-10,26H2,1H3,(H2,27,31)/t14-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503409
PNG
(6-Amino-2-[(4-amino-cyclohexyl)- methyl-amino]-5-(...)
Show SMILES CN([C@H]1CC[C@H](N)CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C18H22Cl2N6O/c1-26(10-7-5-9(21)6-8-10)18-24-15(17(23)27)13(16(22)25-18)11-3-2-4-12(19)14(11)20/h2-4,9-10H,5-8,21H2,1H3,(H2,23,27)(H2,22,24,25)/t9-,10-
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503406
PNG
((5P)-6-amino-2-[(4R)-4-amino-4- methylazepan-1-yl]...)
Show SMILES C[C@@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(23)6-3-8-26(9-7-18)17-24-14(16(22)27)12(15(21)25-17)10-4-2-5-11(19)13(10)20/h2,4-5H,3,6-9,23H2,1H3,(H2,22,27)(H2,21,24,25)/t18-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503306
PNG
(6-amino-2-[(3S,4S)-4-amino-3- methyl-2-oxa-8-azasp...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N6O2/c1-10-16(23)20(9-30-10)5-7-28(8-6-20)19-26-15(18(25)29)13(17(24)27-19)11-3-2-4-12(21)14(11)22/h2-4,10,16H,5-9,23H2,1H3,(H2,25,29)(H2,24,26,27)/t10-,16+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503398
PNG
((5P)-2-[(3aS,7aR)-3a- (aminomethyl)-octahydro-1H- ...)
Show SMILES NC[C@@]12CN(C[C@@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-13-6-3-5-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-8-11-4-1-2-7-20(11,9-23)10-28/h3,5-6,11H,1-2,4,7-10,23H2,(H2,25,29)(H2,24,26,27)/t11-,20-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503326
PNG
((4M)-6-amino-2-(4-amino-4- methylpiperidin-1-yl)-5...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)(H2,20,23,24)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503389
PNG
(6-Amino-2-(4-amino-4-methyl- azepan-1-yl)-5-(2,3-d...)
Show SMILES CC1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(23)6-3-8-26(9-7-18)17-24-14(16(22)27)12(15(21)25-17)10-4-2-5-11(19)13(10)20/h2,4-5H,3,6-9,23H2,1H3,(H2,22,27)(H2,21,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503318
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(2,3-dichlo...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503330
PNG
((4M)-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,3-d...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503349
PNG
(6-amino-2-(4-aminoazepan-1-yl)-5- (2,3-dichlorophe...)
Show SMILES NC1CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N6O/c18-11-5-1-4-10(13(11)19)12-14(16(22)26)23-17(24-15(12)21)25-7-2-3-9(20)6-8-25/h1,4-5,9H,2-3,6-8,20H2,(H2,22,26)(H2,21,23,24)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503308
PNG
(6-amino-2-[(1R)-1-amino-8- azaspiro[4.5]decan-8-yl...)
Show SMILES N[C@@H]1CCCC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-12-4-1-3-11(15(12)22)14-16(18(25)29)26-19(27-17(14)24)28-9-7-20(8-10-28)6-2-5-13(20)23/h1,3-4,13H,2,5-10,23H2,(H2,25,29)(H2,24,26,27)/t13-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503401
PNG
((5P)-2-[(3aS,6aR)-3a- (aminomethyl)-octahydro- cyc...)
Show SMILES NC[C@]12CCC[C@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-5-1-4-11(14(12)21)13-15(17(24)28)25-18(26-16(13)23)27-7-10-3-2-6-19(10,8-22)9-27/h1,4-5,10H,2-3,6-9,22H2,(H2,24,28)(H2,23,25,26)/t10-,19-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503320
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NO
Show InChI InChI=1S/C17H20Cl2N6O2/c1-17(21)5-7-25(8-6-17)16-22-13(15(26)24-27)11(14(20)23-16)9-3-2-4-10(18)12(9)19/h2-4,27H,5-8,21H2,1H3,(H,24,26)(H2,20,22,23)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503304
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)(H2,20,23,24)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503345
PNG
(2-(4-Amino-4-methyl-azepan-1-yl)- 5-(2,3-dichloro-...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCCC(C)(N)CC1
Show InChI InChI=1S/C19H23Cl2N5O/c1-11-14(12-5-3-6-13(20)15(12)21)16(17(22)27)25-18(24-11)26-9-4-7-19(2,23)8-10-26/h3,5-6H,4,7-10,23H2,1-2H3,(H2,22,27)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503353
PNG
(6-amino-2-(4-amino-4- propylpiperidin-1-yl)-5-(2,3...)
Show SMILES CCCC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H24Cl2N6O/c1-2-6-19(24)7-9-27(10-8-19)18-25-15(17(23)28)13(16(22)26-18)11-4-3-5-12(20)14(11)21/h3-5H,2,6-10,24H2,1H3,(H2,23,28)(H2,22,25,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503309
PNG
(6-amino-2-[(1R)-1-amino-3,3- difluoro-8-azaspiro[4...)
Show SMILES N[C@@H]1CC(F)(F)CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H22Cl2F2N6O/c21-11-3-1-2-10(14(11)22)13-15(17(27)31)28-18(29-16(13)26)30-6-4-19(5-7-30)9-20(23,24)8-12(19)25/h1-3,12H,4-9,25H2,(H2,27,31)(H2,26,28,29)/t12-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503332
PNG
(2-[(4-Amino-cyclohexyl)-methyl- amino]-5-(2,3-dich...)
Show SMILES CN(C1CCC(N)CC1)c1cc(C(N)=O)c(c(C)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-11-18(14-4-3-5-16(21)19(14)22)15(20(24)27)10-17(25-11)26(2)13-8-6-12(23)7-9-13/h3-5,10,12-13H,6-9,23H2,1-2H3,(H2,24,27)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503329
PNG
(6-amino-2-[4-amino-4- (hydroxymethyl)piperidin-1-y...)
Show SMILES NC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(N)(CO)CC1
Show InChI InChI=1S/C17H20Cl2N6O2/c18-10-3-1-2-9(12(10)19)11-13(15(21)27)23-16(24-14(11)20)25-6-4-17(22,8-26)5-7-25/h1-3,26H,4-8,22H2,(H2,21,27)(H2,20,23,24)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503324
PNG
(2-[3a-(aminomethyl)-octahydro-1H- isoindol-2-yl]-6...)
Show SMILES NCC12CN(CC1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-13-6-3-5-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-8-11-4-1-2-7-20(11,9-23)10-28/h3,5-6,11H,1-2,4,7-10,23H2,(H2,25,29)(H2,24,26,27)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503341
PNG
(6-amino-2-[4-(aminomethyl)-4- methylpiperidin-1-yl...)
Show SMILES CC1(CN)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(9-21)5-7-26(8-6-18)17-24-14(16(23)27)12(15(22)25-17)10-3-2-4-11(19)13(10)20/h2-4H,5-9,21H2,1H3,(H2,23,27)(H2,22,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503328
PNG
(2-(3-Amino-cyclohexyl-amino)-5- (2,3-dichloro-phen...)
Show SMILES Cc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503386
PNG
((4M)-2-{[(1R,3S)-3- aminocyclohexyl]amino}-5-(2,3-...)
Show SMILES Cc1nc(N[C@@H]2CCC[C@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)/t10-,11+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503397
PNG
((5P)-2-[(3aR,7aS)-3a- (aminomethyl)-octahydro-1H- ...)
Show SMILES NC[C@]12CN(C[C@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-13-6-3-5-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-8-11-4-1-2-7-20(11,9-23)10-28/h3,5-6,11H,1-2,4,7-10,23H2,(H2,25,29)(H2,24,26,27)/t11-,20-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503408
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(2-chloro-3...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(c1Cl)C(F)(F)F)N1CCC(C)(N)CC1
Show InChI InChI=1S/C19H21ClF3N5O/c1-10-13(11-4-3-5-12(14(11)20)19(21,22)23)15(16(24)29)27-17(26-10)28-8-6-18(2,25)7-9-28/h3-5H,6-9,25H2,1-2H3,(H2,24,29)
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n/an/a 530n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503412
PNG
((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...)
Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1
Show InChI InChI=1S/C19H23ClFN5O2/c1-10-13(11-4-5-12(21)16(28-3)14(11)20)15(17(22)27)25-18(24-10)26-8-6-19(2,23)7-9-26/h4-5H,6-9,23H2,1-3H3,(H2,22,27)
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n/an/a 570n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503312
PNG
(6-amino-2-[8-(aminomethyl)-6- azaspiro[3.4]octan-6...)
Show SMILES NCC1CN(CC11CCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-4-1-3-11(14(12)21)13-15(17(24)28)25-18(26-16(13)23)27-8-10(7-22)19(9-27)5-2-6-19/h1,3-4,10H,2,5-9,22H2,(H2,24,28)(H2,23,25,26)
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n/an/a 590n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503410
PNG
((5P)-2-[(1R)-1-amino-8- azaspiro[4.5]decan-8-yl]-5...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C21H25Cl2N5O/c1-12-16(13-4-2-5-14(22)17(13)23)18(19(25)29)27-20(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29)/t15-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503379
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(2,3-dichlo...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1ccnc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N6O/c1-9-11(10-3-6-22-14(19)12(10)18)13(15(20)26)24-16(23-9)25-7-4-17(2,21)5-8-25/h3,6H,4-5,7-8,21H2,1-2H3,(H2,20,26)
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n/an/a 720n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503356
PNG
(5-(2,3-Dichloro-phenyl)-6-methyl-2- (5-methyl-hexa...)
Show SMILES CN1CC2CN(CC2C1)c1nc(C)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H21Cl2N5O/c1-10-15(13-4-3-5-14(20)16(13)21)17(18(22)27)24-19(23-10)26-8-11-6-25(2)7-12(11)9-26/h3-5,11-12H,6-9H2,1-2H3,(H2,22,27)
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n/an/a 960n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503374
PNG
(2-((3aR,6aR)-4-Amino-hexahydro- cyclopenta-[c]pyrr...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CCC(N)[C@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12-,14?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503337
PNG
(2-((S)-6-Amino-2-aza- spiro[4.4]non-2-yl)-5-(2,3-d...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@@H]2N)C1
Show InChI InChI=1S/C20H23Cl2N5O/c1-11-15(12-4-2-5-13(21)16(12)22)17(18(24)28)26-19(25-11)27-9-8-20(10-27)7-3-6-14(20)23/h2,4-5,14H,3,6-10,23H2,1H3,(H2,24,28)/t14-,20?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503335
PNG
(2-((R)-6-Amino-2-aza- spiro[4.4]non-2-yl)-5-(2,3-d...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)C1
Show InChI InChI=1S/C20H23Cl2N5O/c1-11-15(12-4-2-5-13(21)16(12)22)17(18(24)28)26-19(25-11)27-9-8-20(10-27)7-3-6-14(20)23/h2,4-5,14H,3,6-10,23H2,1H3,(H2,24,28)/t14-,20?/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503334
PNG
(6-amino-2-[8-(aminomethyl)-2-oxa- 6-azaspiro[3.4]o...)
Show SMILES NCC1CN(CC11COC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C18H20Cl2N6O2/c19-11-3-1-2-10(13(11)20)12-14(16(23)27)24-17(25-15(12)22)26-5-9(4-21)18(6-26)7-28-8-18/h1-3,9H,4-8,21H2,(H2,23,27)(H2,22,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503310
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,...)
Show SMILES CNC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(22)6-8-26(9-7-18)17-24-14(16(27)23-2)12(15(21)25-17)10-4-3-5-11(19)13(10)20/h3-5H,6-9,22H2,1-2H3,(H,23,27)(H2,21,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503385
PNG
((4M)-2-{[(1S,3R)-3- aminocyclohexyl]amino}-5-(2,3-...)
Show SMILES Cc1nc(N[C@H]2CCC[C@@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)/t10-,11+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503369
PNG
(6-amino-2-[2-(aminomethyl)- azetidin-1-yl]-5-(2,3-...)
Show SMILES NCC1CCN1c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C15H16Cl2N6O/c16-9-3-1-2-8(11(9)17)10-12(14(20)24)21-15(22-13(10)19)23-5-4-7(23)6-18/h1-3,7H,4-6,18H2,(H2,20,24)(H2,19,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503405
PNG
((5P)-6-amino-2-[(4S)-4-amino-4- methylazepan-1-yl]...)
Show SMILES C[C@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(23)6-3-8-26(9-7-18)17-24-14(16(22)27)12(15(21)25-17)10-4-2-5-11(19)13(10)20/h2,4-5H,3,6-9,23H2,1H3,(H2,22,27)(H2,21,24,25)/t18-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503376
PNG
((4M)-2-(4-amino-4-methylpiperidin- 1-yl)-6-chloro-...)
Show SMILES CC1(N)CCN(CC1)c1nc(Cl)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H18Cl3N5O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503351
PNG
(6-amino-2-[(3R,4R)-3- (aminomethyl)-4-phenylpyrrol...)
Show SMILES NC[C@@H]1CN(C[C@H]1c1ccccc1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H22Cl2N6O/c23-16-8-4-7-14(18(16)24)17-19(21(27)31)28-22(29-20(17)26)30-10-13(9-25)15(11-30)12-5-2-1-3-6-12/h1-8,13,15H,9-11,25H2,(H2,27,31)(H2,26,28,29)/t13-,15+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503313
PNG
(6-amino-2-[3-(aminomethyl)-8- azabicyclo[3.2.1]oct...)
Show SMILES NCC1CC2CCC(C1)N2c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-13-3-1-2-12(15(13)21)14-16(18(24)28)25-19(26-17(14)23)27-10-4-5-11(27)7-9(6-10)8-22/h1-3,9-11H,4-8,22H2,(H2,24,28)(H2,23,25,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503321
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NN
Show InChI InChI=1S/C17H21Cl2N7O/c1-17(21)5-7-26(8-6-17)16-23-13(15(27)25-22)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,21-22H2,1H3,(H,25,27)(H2,20,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503355
PNG
(6-amino-2-[3-(aminomethyl)-3- methylazetidin-1-yl]...)
Show SMILES CC1(CN)CN(C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C16H18Cl2N6O/c1-16(5-19)6-24(7-16)15-22-12(14(21)25)10(13(20)23-15)8-3-2-4-9(17)11(8)18/h2-4H,5-7,19H2,1H3,(H2,21,25)(H2,20,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503380
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(2-chloro-4...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1ccc(F)cc1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C18H21ClFN5O/c1-10-14(12-4-3-11(20)9-13(12)19)15(16(21)26)24-17(23-10)25-7-5-18(2,22)6-8-25/h3-4,9H,5-8,22H2,1-2H3,(H2,21,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503303
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(3-...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2)c(n1)C(N)=O
Show InChI InChI=1S/C17H21ClN6O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)(H2,19,22,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503373
PNG
(2-((3aS,4R,6aR)-4-Amino- hexahydro-cyclopenta[c]py...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@@H](N)[C@@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12+,14+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503390
PNG
(2-(4-Amino-cyclohexyl-amino)-5- (2,3-dichloro-phen...)
Show SMILES Cc1nc(N[C@@H]2CC[C@H](N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-3-2-4-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-7-5-10(21)6-8-11/h2-4,10-11H,5-8,21H2,1H3,(H2,22,26)(H,23,24,25)/t10-,11+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503333
PNG
(2-(7-Amino-3-oxa-9-aza- bicyclo[3.3.1]non-9-yl)-5-...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C2COCC1CC(N)C2
Show InChI InChI=1S/C19H21Cl2N5O2/c1-9-15(13-3-2-4-14(20)16(13)21)17(18(23)27)25-19(24-9)26-11-5-10(22)6-12(26)8-28-7-11/h2-4,10-12H,5-8,22H2,1H3,(H2,23,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503391
PNG
((5P)-2-[(3S,4S)-4-amino-3-methyl- 2-oxa-8-azaspiro...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C21H25Cl2N5O2/c1-11-15(13-4-3-5-14(22)16(13)23)17(19(25)29)27-20(26-11)28-8-6-21(7-9-28)10-30-12(2)18(21)24/h3-5,12,18H,6-10,24H2,1-2H3,(H2,25,29)/t12-,18+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503307
PNG
(6-amino-2-{9-amino-3- azabicyclo[3.3.1]nonan-3-yl}...)
Show SMILES NC1C2CCCC1CN(C2)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-6-2-5-11(14(12)21)13-16(18(24)28)25-19(26-17(13)23)27-7-9-3-1-4-10(8-27)15(9)22/h2,5-6,9-10,15H,1,3-4,7-8,22H2,(H2,24,28)(H2,23,25,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503343
PNG
(2-(2-Aminomethyl- cyclopentylamino)-5-(2,3-dichlor...)
Show SMILES Cc1nc(NC2CCCC2CN)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(11-5-3-6-12(19)15(11)20)16(17(22)26)25-18(23-9)24-13-7-2-4-10(13)8-21/h3,5-6,10,13H,2,4,7-8,21H2,1H3,(H2,22,26)(H,23,24,25)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503403
PNG
((5P)-6-amino-2-[4-amino-4- (difluoromethyl)piperid...)
Show SMILES NC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(N)(CC1)C(F)F
Show InChI InChI=1S/C17H18Cl2F2N6O/c18-9-3-1-2-8(11(9)19)10-12(14(23)28)25-16(26-13(10)22)27-6-4-17(24,5-7-27)15(20)21/h1-3,15H,4-7,24H2,(H2,23,28)(H2,22,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503305
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(3-...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C17H21FN6O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)(H2,19,22,23)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503363
PNG
(6-amino-2-{[(1R,2S)-2- aminocyclohexyl]amino}-5-(2...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N6O/c18-9-5-3-4-8(13(9)19)12-14(16(22)26)24-17(25-15(12)21)23-11-7-2-1-6-10(11)20/h3-5,10-11H,1-2,6-7,20H2,(H2,22,26)(H3,21,23,24,25)/t10-,11+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503302
PNG
(2-(4-amino-4-methylpiperidin-1-yl)- 5-(2,3-dichlor...)
Show SMILES CC1(N)CCN(CC1)c1ncc(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl2N5O/c1-17(21)5-7-24(8-6-17)16-22-9-11(14(23-16)15(20)25)10-3-2-4-12(18)13(10)19/h2-4,9H,5-8,21H2,1H3,(H2,20,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503395
PNG
((5P)-2-[(3aR,6aS)-3a- (aminomethyl)-octahydro- cyc...)
Show SMILES NC[C@@]12CCC[C@@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-5-1-4-11(14(12)21)13-15(17(24)28)25-18(26-16(13)23)27-7-10-3-2-6-19(10,8-22)9-27/h1,4-5,10H,2-3,6-9,22H2,(H2,24,28)(H2,23,25,26)/t10-,19-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503340
PNG
(6-amino-2-[3-(aminomethyl)-2-oxa- 8-azaspiro[4.5]d...)
Show SMILES NCC1CC2(CO1)CCN(CC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O2/c21-13-3-1-2-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-6-4-20(5-7-28)8-11(9-23)30-10-20/h1-3,11H,4-10,23H2,(H2,25,29)(H2,24,26,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503393
PNG
((5M)-2-[(1R)-1-amino-3,3-difluoro- 8-azaspiro[4.5]...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC(F)(F)C[C@H]2N)CC1
Show InChI InChI=1S/C21H23Cl2F2N5O/c1-11-15(12-3-2-4-13(22)16(12)23)17(18(27)31)29-19(28-11)30-7-5-20(6-8-30)10-21(24,25)9-14(20)26/h2-4,14H,5-10,26H2,1H3,(H2,27,31)/t14-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503358
PNG
(2-(1-Amino-5-aza-spiro[2.4]hept-5- yl)-5-(2,3-dich...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC2N)C1
Show InChI InChI=1S/C18H19Cl2N5O/c1-9-13(10-3-2-4-11(19)14(10)20)15(16(22)26)24-17(23-9)25-6-5-18(8-25)7-12(18)21/h2-4,12H,5-8,21H2,1H3,(H2,22,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503407
PNG
((5M)-6-amino-2-[(4S)-4-amino-4- methylazepan-1-yl]...)
Show SMILES C[C@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N6O/c1-18(23)6-3-8-26(9-7-18)17-24-14(16(22)27)12(15(21)25-17)10-4-2-5-11(19)13(10)20/h2,4-5H,3,6-9,23H2,1H3,(H2,22,27)(H2,21,24,25)/t18-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503323
PNG
(6-amino-2-[4-(aminomethyl)-8-oxa- 2-azaspiro[4.5]d...)
Show SMILES NCC1CN(CC11CCOCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O2/c21-13-3-1-2-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-9-11(8-23)20(10-28)4-6-30-7-5-20/h1-3,11H,4-10,23H2,(H2,25,29)(H2,24,26,27)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503342
PNG
(2-(4-Amino-hexahydro- cyclopenta[c]pyrrol-2-yl)-5-...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC2CCC(N)C2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503371
PNG
(2-((3aS,6aS)-4-Amino-hexahydro- cyclopenta-[c]pyrr...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CCC(N)[C@@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12-,14?/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503368
PNG
(6-amino-2-[(1R,5S,6R)-6- (aminomethyI)-3-azabicycl...)
Show SMILES NC[C@H]1[C@@H]2CN(C[C@H]12)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C17H18Cl2N6O/c18-11-3-1-2-7(13(11)19)12-14(16(22)26)23-17(24-15(12)21)25-5-9-8(4-20)10(9)6-25/h1-3,8-10H,4-6,20H2,(H2,22,26)(H2,21,23,24)/t8-,9-,10+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503378
PNG
(2-((3R,4S)-3-Amino-4-hydroxy- pyrrolidin-1-yl)-5-(...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H](N)[C@@H](O)C1
Show InChI InChI=1S/C16H17Cl2N5O2/c1-7-12(8-3-2-4-9(17)13(8)18)14(15(20)25)22-16(21-7)23-5-10(19)11(24)6-23/h2-4,10-11,24H,5-6,19H2,1H3,(H2,20,25)/t10-,11+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503346
PNG
(2-(2-Aminomethyl-azetidin-1-yl)-5- (2,3-dichloro-p...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC1CN
Show InChI InChI=1S/C16H17Cl2N5O/c1-8-12(10-3-2-4-11(17)13(10)18)14(15(20)24)22-16(21-8)23-6-5-9(23)7-19/h2-4,9H,5-7,19H2,1H3,(H2,20,24)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503398
PNG
((5P)-2-[(3aS,7aR)-3a- (aminomethyl)-octahydro-1H- ...)
Show SMILES NC[C@@]12CN(C[C@@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-13-6-3-5-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-8-11-4-1-2-7-20(11,9-23)10-28/h3,5-6,11H,1-2,4,7-10,23H2,(H2,25,29)(H2,24,26,27)/t11-,20-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503367
PNG
(6-amino-2-(3-aminoazetidin-1-yl)-5- (2,3-dichlorop...)
Show SMILES NC1CN(C1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H14Cl2N6O/c15-8-3-1-2-7(10(8)16)9-11(13(19)23)20-14(21-12(9)18)22-4-6(17)5-22/h1-3,6H,4-5,17H2,(H2,19,23)(H2,18,20,21)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503366
PNG
(2-(3,9-Diaza-bicyclo[4.2.1]-non-3- yl)-5-(2,3-dich...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2CCC(C1)N2
Show InChI InChI=1S/C19H21Cl2N5O/c1-10-15(13-3-2-4-14(20)16(13)21)17(18(22)27)25-19(23-10)26-8-7-11-5-6-12(9-26)24-11/h2-4,11-12,24H,5-9H2,1H3,(H2,22,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503339
PNG
(6-amino-2-[4-(3-aminooxan-2- yl)piperidin-1-yl]-5-...)
Show SMILES NC1CCCOC1C1CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C21H26Cl2N6O2/c22-13-4-1-3-12(16(13)23)15-17(20(26)30)27-21(28-19(15)25)29-8-6-11(7-9-29)18-14(24)5-2-10-31-18/h1,3-4,11,14,18H,2,5-10,24H2,(H2,26,30)(H2,25,27,28)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503382
PNG
(2-((3S,4S)-3-Amino-4-hydroxy- pyrrolidin-1-yl)-5-(...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H](N)[C@@H](O)C1
Show InChI InChI=1S/C16H17Cl2N5O2/c1-7-12(8-3-2-4-9(17)13(8)18)14(15(20)25)22-16(21-7)23-5-10(19)11(24)6-23/h2-4,10-11,24H,5-6,19H2,1H3,(H2,20,25)/t10-,11-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503370
PNG
(2-((3aR,4R,6aS)-4-Amino- hexahydro-cyclopenta-[c]p...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CC[C@@H](N)[C@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12+,14-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503338
PNG
(6-amino-2-{4-amino-1-oxa-9- azaspiro[5.5]undecan-9...)
Show SMILES NC1CCOC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)C1
Show InChI InChI=1S/C20H24Cl2N6O2/c21-13-3-1-2-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-7-5-20(6-8-28)10-11(23)4-9-30-20/h1-3,11H,4-10,23H2,(H2,25,29)(H2,24,26,27)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503354
PNG
(6-amino-2-[3-(aminomethyl)-3- hydroxyazetidin-1-yl...)
Show SMILES NCC1(O)CN(C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C15H16Cl2N6O2/c16-8-3-1-2-7(10(8)17)9-11(13(20)24)21-14(22-12(9)19)23-5-15(25,4-18)6-23/h1-3,25H,4-6,18H2,(H2,20,24)(H2,19,21,22)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503330
PNG
((4M)-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,3-d...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503315
PNG
(6-amino-5-(2,3-dichlorophenyl)-2- [(1R,7S,11r)-11-...)
Show SMILES C[C@@]12CN(C[C@@](C)(CCCCC1)[C@@H]2N)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C23H30Cl2N6O/c1-22-9-4-3-5-10-23(2,20(22)28)12-31(11-22)21-29-17(19(27)32)15(18(26)30-21)13-7-6-8-14(24)16(13)25/h6-8,20H,3-5,9-12,28H2,1-2H3,(H2,27,32)(H2,26,29,30)/t20-,22+,23-
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n/an/a 8.80E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503311
PNG
(6-amino-2-[6-amino-7-hydroxy-1- (propan-2-yl)-2-az...)
Show SMILES CC(C)C1N(CC11CC(N)C(O)C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C21H26Cl2N6O2/c1-9(2)17-21(6-12(24)13(30)7-21)8-29(17)20-27-16(19(26)31)14(18(25)28-20)10-4-3-5-11(22)15(10)23/h3-5,9,12-13,17,30H,6-8,24H2,1-2H3,(H2,26,31)(H2,25,27,28)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503326
PNG
((4M)-6-amino-2-(4-amino-4- methylpiperidin-1-yl)-5...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-23-13(15(21)26)11(14(20)24-16)9-3-2-4-10(18)12(9)19/h2-4H,5-8,22H2,1H3,(H2,21,26)(H2,20,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503416
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C22H21Cl2N7O2/c23-13-5-1-3-11(15(13)24)14-16(19(27)32)29-21(30-18(14)26)31-9-6-22(7-10-31)17(25)12-4-2-8-28-20(12)33-22/h1-5,8,17H,6-7,9-10,25H2,(H2,27,32)(H2,26,29,30)/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503362
PNG
((5M)-6-amino-5-(2,3- dichlorophenyl)-2-{[(3S,4R)-3...)
Show SMILES NC(=O)c1nc(N[C@@H]2CCNC[C@@H]2F)nc(N)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H17Cl2FN6O/c17-8-3-1-2-7(12(8)18)11-13(15(21)26)24-16(25-14(11)20)23-10-4-5-22-6-9(10)19/h1-3,9-10,22H,4-6H2,(H2,21,26)(H3,20,23,24,25)/t9-,10+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503361
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(7-...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2ccc3cn[nH]c3c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C18H21ClN8O/c1-18(22)4-6-27(7-5-18)17-24-14(16(21)28)11(15(20)25-17)10-3-2-9-8-23-26-13(9)12(10)19/h2-3,8H,4-7,22H2,1H3,(H2,21,28)(H,23,26)(H2,20,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503412
PNG
((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...)
Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1
Show InChI InChI=1S/C19H23ClFN5O2/c1-10-13(11-4-5-12(21)16(28-3)14(11)20)15(17(22)27)25-18(24-10)26-8-6-19(2,23)7-9-26/h4-5H,6-9,23H2,1-3H3,(H2,22,27)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503375
PNG
(2-((3aR,4S,6aS)-4-Amino- hexahydro-cyclopenta-[c]p...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@H]2CC[C@H](N)[C@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12+,14+/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503357
PNG
(2-(3-Amino-3-hydroxymethyl- azetidin-1-yl)-5-(2,3-...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC(N)(CO)C1
Show InChI InChI=1S/C16H17Cl2N5O2/c1-8-11(9-3-2-4-10(17)12(9)18)13(14(19)25)22-15(21-8)23-5-16(20,6-23)7-24/h2-4,24H,5-7,20H2,1H3,(H2,19,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503401
PNG
((5P)-2-[(3aS,6aR)-3a- (aminomethyl)-octahydro- cyc...)
Show SMILES NC[C@]12CCC[C@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-5-1-4-11(14(12)21)13-15(17(24)28)25-18(26-16(13)23)27-7-10-3-2-6-19(10,8-22)9-27/h1,4-5,10H,2-3,6-9,22H2,(H2,24,28)(H2,23,25,26)/t10-,19-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503350
PNG
(6-amino-2-(4-amino-octahydro-1H- isoindol-2-yl)-5-...)
Show SMILES NC1CCCC2CN(CC12)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C19H22Cl2N6O/c20-12-5-2-4-10(15(12)21)14-16(18(24)28)25-19(26-17(14)23)27-7-9-3-1-6-13(22)11(9)8-27/h2,4-5,9,11,13H,1,3,6-8,22H2,(H2,24,28)(H2,23,25,26)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503347
PNG
((4P)-2-[(3R)-3- (aminomethyl)morpholin-4-yl]-5- (2...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCOC[C@H]1CN
Show InChI InChI=1S/C17H19Cl2N5O2/c1-9-13(11-3-2-4-12(18)14(11)19)15(16(21)25)23-17(22-9)24-5-6-26-8-10(24)7-20/h2-4,10H,5-8,20H2,1H3,(H2,21,25)/t10-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503384
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-6-methyl-5-py...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1ccncc1)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H22N6O/c1-11-13(12-3-7-20-8-4-12)14(15(18)24)22-16(21-11)23-9-5-17(2,19)6-10-23/h3-4,7-8H,5-6,9-10,19H2,1-2H3,(H2,18,24)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503359
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(1H-benzoim...)
Show SMILES CC1(N)CCN(CC1)c1ncc(-c2cccc3[nH]cnc23)c(n1)C(N)=O
Show InChI InChI=1S/C18H21N7O/c1-18(20)5-7-25(8-6-18)17-21-9-12(15(24-17)16(19)26)11-3-2-4-13-14(11)23-10-22-13/h2-4,9-10H,5-8,20H2,1H3,(H2,19,26)(H,22,23)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503360
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-benzo[1,2,5...)
Show SMILES CC1(N)CCN(CC1)c1ncc(-c2cccc3nonc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H19N7O2/c1-17(19)5-7-24(8-6-17)16-20-9-11(14(21-16)15(18)25)10-3-2-4-12-13(10)23-26-22-12/h2-4,9H,5-8,19H2,1H3,(H2,18,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503385
PNG
((4M)-2-{[(1S,3R)-3- aminocyclohexyl]amino}-5-(2,3-...)
Show SMILES Cc1nc(N[C@H]2CCC[C@@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)/t10-,11+/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503372
PNG
(2-((3aS,4S,6aR)-4-Amino- hexahydro-cyclopenta-[c]p...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@H](N)[C@@H]2C1
Show InChI InChI=1S/C19H21Cl2N5O/c1-9-15(11-3-2-4-13(20)16(11)21)17(18(23)27)25-19(24-9)26-7-10-5-6-14(22)12(10)8-26/h2-4,10,12,14H,5-8,22H2,1H3,(H2,23,27)/t10-,12+,14-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503314
PNG
(6-amino-5-(2,3-dichlorophenyl)-2- [(1R,7S,11s)-11-...)
Show SMILES C[C@@]12CN(C[C@@](C)(CCCCC1)[C@H]2N)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C23H30Cl2N6O/c1-22-9-4-3-5-10-23(2,20(22)28)12-31(11-22)21-29-17(19(27)32)15(18(26)30-21)13-7-6-8-14(24)16(13)25/h6-8,20H,3-5,9-12,28H2,1-2H3,(H2,27,32)(H2,26,29,30)/t20-,22-,23+
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503352
PNG
(6-amino-2-({4- azaspiro[bicyclo[2.2.2]octane-2,2'-...)
Show SMILES NC(=O)c1nc(NC2CCOC3(CN4CCC5CCC345)C2)nc(N)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N6O2/c24-15-3-1-2-14(17(15)25)16-18(20(27)32)29-21(30-19(16)26)28-13-6-9-33-22(10-13)11-31-8-5-12-4-7-23(12,22)31/h1-3,12-13H,4-11H2,(H2,27,32)(H3,26,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503325
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(3-fluoro-p...)
Show SMILES CC1(N)CCN(CC1)c1nc(O)c(-c2cccc(F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C17H20FN5O2/c1-17(20)5-7-23(8-6-17)16-21-13(14(19)24)12(15(25)22-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,20H2,1H3,(H2,19,24)(H,21,22,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503348
PNG
((4P)-2-[(3S)-3- (aminomethyl)morpholin-4-yl]-5- (2...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCOC[C@@H]1CN
Show InChI InChI=1S/C17H19Cl2N5O2/c1-9-13(11-3-2-4-12(18)14(11)19)15(16(21)25)23-17(22-9)24-5-6-26-8-10(24)7-20/h2-4,10H,5-8,20H2,1H3,(H2,21,25)/t10-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503344
PNG
(2-(3-Aminomethyl-3-fluoro-azetidin- 1-yl)-5-(2,3-d...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CC(F)(CN)C1
Show InChI InChI=1S/C16H16Cl2FN5O/c1-8-11(9-3-2-4-10(17)12(9)18)13(14(21)25)23-15(22-8)24-6-16(19,5-20)7-24/h2-4H,5-7,20H2,1H3,(H2,21,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503317
PNG
(6-Amino-2-(4-amino-4-methyl- piperidin-1-yl)-5-(2,...)
Show SMILES CC1(N)CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(=O)NCCO
Show InChI InChI=1S/C19H24Cl2N6O2/c1-19(23)5-8-27(9-6-19)18-25-15(17(29)24-7-10-28)13(16(22)26-18)11-3-2-4-12(20)14(11)21/h2-4,28H,5-10,23H2,1H3,(H,24,29)(H2,22,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503386
PNG
((4M)-2-{[(1R,3S)-3- aminocyclohexyl]amino}-5-(2,3-...)
Show SMILES Cc1nc(N[C@@H]2CCC[C@H](N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)/t10-,11+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503336
PNG
(2-(3-Aminomethyl- cyclopentylamino)-5-(2,3-dichlor...)
Show SMILES Cc1nc(NC2CCC(CN)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H21Cl2N5O/c1-9-14(12-3-2-4-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-6-5-10(7-11)8-21/h2-4,10-11H,5-8,21H2,1H3,(H2,22,26)(H,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503381
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-5-(4-chloro-p...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cnccc1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H21ClN6O/c1-10-13(11-9-21-6-3-12(11)18)14(15(19)25)23-16(22-10)24-7-4-17(2,20)5-8-24/h3,6,9H,4-5,7-8,20H2,1-2H3,(H2,19,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503403
PNG
((5P)-6-amino-2-[4-amino-4- (difluoromethyl)piperid...)
Show SMILES NC(=O)c1nc(nc(N)c1-c1cccc(Cl)c1Cl)N1CCC(N)(CC1)C(F)F
Show InChI InChI=1S/C17H18Cl2F2N6O/c18-9-3-1-2-8(11(9)19)10-12(14(23)28)25-16(26-13(10)22)27-6-4-17(24,5-7-27)15(20)21/h1-3,15H,4-7,24H2,(H2,23,28)(H2,22,25,26)
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UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503364
PNG
((5P)-6-amino-2-[(3S,4S)-4-amino- 3-methyl-2-oxa-8-...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N6O2/c1-10-16(23)20(9-30-10)5-7-28(8-6-20)19-26-15(18(25)29)13(17(24)27-19)11-3-2-4-12(21)14(11)22/h2-4,10,16H,5-9,23H2,1H3,(H2,25,29)(H2,24,26,27)/t10-,16+/m0/s1
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US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503397
PNG
((5P)-2-[(3aR,7aS)-3a- (aminomethyl)-octahydro-1H- ...)
Show SMILES NC[C@]12CN(C[C@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C20H24Cl2N6O/c21-13-6-3-5-12(15(13)22)14-16(18(25)29)26-19(27-17(14)24)28-8-11-4-1-2-7-20(11,9-23)10-28/h3,5-6,11H,1-2,4,7-10,23H2,(H2,25,29)(H2,24,26,27)/t11-,20-/m1/s1
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US Patent
n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503322
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-6-fluoro-5-(3...)
Show SMILES CC1(N)CCN(CC1)c1nc(F)c(-c2cccc(F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C17H19F2N5O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM503319
PNG
(2-(4-Amino-4-methyl-piperidin-1- yl)-6-chloro-5-(3...)
Show SMILES CC1(N)CCN(CC1)c1nc(Cl)c(-c2cccc(F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C17H19ClFN5O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(18)23-16)10-3-2-4-11(19)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)
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US Patent
n/an/a 8.70E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


US Patent US11033547 (2021)

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