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Patent code US11001561

Compile Data Set for Download or QSAR
Found 146 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))
BDBM497145
PNG
(US11001561, Compound 119b)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@@H]2N)CC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m0/s1
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n/an/a 0.800n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497088
PNG
(US11001561, Compound 74a)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1
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n/an/a 1n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497078
PNG
(US11001561, Compound 66b)
Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1
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n/an/a 1n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497106
PNG
(US11001561, Compound 81b)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m1/s1
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n/an/a 1.40n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497134
PNG
(US11001561, Compound 109)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(Cl)c1Cl
Show InChI InChI=1S/C25H25Cl2FN4O/c1-14-23(30-15(2)32(24(14)33)19-8-7-18(28)20(26)21(19)27)31-11-9-25(10-12-31)13-16-5-3-4-6-17(16)22(25)29/h3-8,22H,9-13,29H2,1-2H3/t22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497135
PNG
(US11001561, Compound 110)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(C)c1Cl
Show InChI InChI=1S/C26H28ClFN4O/c1-15-20(28)8-9-21(22(15)27)32-17(3)30-24(16(2)25(32)33)31-12-10-26(11-13-31)14-18-6-4-5-7-19(18)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/m1/s1
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n/an/a 2n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497137
PNG
(US11001561, Compound 112)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(F)c1Cl
Show InChI InChI=1S/C25H26ClFN4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(27)21(20)26)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1
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n/an/a 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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497101
PNG
(US11001561, Compound 80a | US11001561, Compound 80...)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-6,9,12,20H,7-8,10-11,26H2,1-2H3/t20-/m0/s1
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n/an/a 5n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497129
PNG
(US11001561, Compound 104)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Br)c1Cl
Show InChI InChI=1S/C25H26BrClN4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1
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n/an/a 5n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497100
PNG
(US11001561, Compound 79b)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-20(28-14(2)30(22(13)31)17-7-3-6-16(24)18(17)25)29-11-8-23(9-12-29)19(26)15-5-4-10-27-21(15)32-23/h3-7,10,19H,8-9,11-12,26H2,1-2H3/t19-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497131
PNG
(US11001561, Compound 106)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497094
PNG
(US11001561, Compound 77)
Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)n(C2CCCC(Cl)=C2Cl)c(=O)c1C
Show InChI InChI=1S/C22H32Cl2N4O/c1-13-11-18(25)22(12-13)7-9-27(10-8-22)20-14(2)21(29)28(15(3)26-20)17-6-4-5-16(23)19(17)24/h13,17-18H,4-12,25H2,1-3H3/t13-,17?,18+/m0/s1
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n/an/a 6n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497130
PNG
(US11001561, Compound 105)
Show SMILES COc1c(F)ccc(c1F)-n1c(C)nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c1=O
Show InChI InChI=1S/C26H28F2N4O2/c1-15-24(30-16(2)32(25(15)33)20-9-8-19(27)22(34-3)21(20)28)31-12-10-26(11-13-31)14-17-6-4-5-7-18(17)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497138
PNG
(US11001561, Compound 113)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(F)c1Cl
Show InChI InChI=1S/C25H25ClF2N4O/c1-14-23(30-15(2)32(24(14)33)19-8-7-18(27)21(28)20(19)26)31-11-9-25(10-12-31)13-16-5-3-4-6-17(16)22(25)29/h3-8,22H,9-13,29H2,1-2H3/t22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497133
PNG
(US11001561, Compound 108)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(C#N)c1Cl
Show InChI InChI=1S/C26H26ClN5O/c1-16-24(30-17(2)32(25(16)33)21-9-5-7-19(15-28)22(21)27)31-12-10-26(11-13-31)14-18-6-3-4-8-20(18)23(26)29/h3-9,23H,10-14,29H2,1-2H3/t23-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497028
PNG
(US11001561, Compound 23b)
Show SMILES C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497075
PNG
(US11001561, Compound 63b)
Show SMILES C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497142
PNG
(US11001561, Compound 117)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1
Show InChI InChI=1S/C24H25Cl2N5O/c1-14-21(29-23(28)31(22(14)32)18-8-4-7-17(25)19(18)26)30-11-9-24(10-12-30)13-15-5-2-3-6-16(15)20(24)27/h2-8,20H,9-13,27H2,1H3,(H2,28,29)/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497143
PNG
(US11001561, Compound 118)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O/c24-16-6-3-7-17(20(16)25)30-19(31)12-18(28-22(30)27)29-10-8-23(9-11-29)13-14-4-1-2-5-15(14)21(23)26/h1-7,12,21H,8-11,13,26H2,(H2,27,28)/t21-/m1/s1
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n/an/a 16n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497089
PNG
(US11001561, Compound 74b)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=CC=C[C@H](Cl)C1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,19,21-22H,10-14,28H2,1-2H3/t19-,21?,22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497120
PNG
(US11001561, Compound 95)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Br)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26BrClN4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497124
PNG
(US11001561, Compound 99)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(F)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H25Cl2FN4O2/c1-11-19(27-8-6-21(7-9-27)10-30-12(2)18(21)25)26-13(3)28(20(11)29)15-5-4-14(24)16(22)17(15)23/h4-5,12,18H,6-10,25H2,1-3H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497006
PNG
(US11001561, Compound 3b)
Show SMILES C[C@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N4O2/c1-12-19(23)20(11-28-12)6-8-25(9-7-20)16-10-17(27)26(13(2)24-16)15-5-3-4-14(21)18(15)22/h3-5,10,12,19H,6-9,11,23H2,1-2H3/t12-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497074
PNG
(US11001561, Compound 63 | US11001561, Compound 63a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497080
PNG
(US11001561, Compound 67b)
Show SMILES Cc1nc(N2CCC3(CCC[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H26Cl2N4O/c1-13-19(26-11-9-21(10-12-26)8-4-7-17(21)24)25-14(2)27(20(13)28)16-6-3-5-15(22)18(16)23/h3,5-6,17H,4,7-12,24H2,1-2H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497032
PNG
(US11001561, Compound 27)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497128
PNG
(US11001561, Compound 103)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(F)c(C)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C22H28ClFN4O2/c1-12-16(24)5-6-17(18(12)23)28-15(4)26-20(13(2)21(28)29)27-9-7-22(8-10-27)11-30-14(3)19(22)25/h5-6,14,19H,7-11,25H2,1-4H3/t14-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497077
PNG
(US11001561, Compound 66a)
Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497122
PNG
(US11001561, Compound 97)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Br)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26BrClN4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(23)17(16)22/h4-6,13,18H,7-11,24H2,1-3H3/t13-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497073
PNG
(US11001561, Compound 62b)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497136
PNG
(US11001561, Compound 111a)
Show SMILES C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C
Show InChI InChI=1S/C22H28Cl2N4O/c1-13-11-18(25)22(12-13)7-9-27(10-8-22)20-14(2)21(29)28(15(3)26-20)17-6-4-5-16(23)19(17)24/h4-6,13,18H,7-12,25H2,1-3H3/t13-,18-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497092
PNG
(US11001561, Compound 75)
Show SMILES Cc1nc(N2CCC3(CC2)[C@H](N)Cc2cccnc32)c(C)c(=O)n1[C@H]1CCCC(Cl)=C1Cl
Show InChI InChI=1S/C24H29Cl2N5O/c1-14-22(29-15(2)31(23(14)32)18-7-3-6-17(25)20(18)26)30-11-8-24(9-12-30)19(27)13-16-5-4-10-28-21(16)24/h4-5,10,18-19H,3,6-9,11-13,27H2,1-2H3/t18-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497121
PNG
(US11001561, Compound 96)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(F)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26ClFN4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(23)17(16)22/h4-6,13,18H,7-11,24H2,1-3H3/t13-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497003
PNG
(US11001561, Compound 2b)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N4O/c1-11-21-14(22-8-6-17(2,20)7-9-22)10-15(24)23(11)13-5-3-4-12(18)16(13)19/h3-5,10H,6-9,20H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497095
PNG
(US11001561, Compound 78a | US11001561, Compound 78...)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-17(26-10-8-20(9-11-26)7-3-6-15(20)23)25-19(24)27(18(12)28)14-5-2-4-13(21)16(14)22/h2,4-5,15H,3,6-11,23H2,1H3,(H2,24,25)/t15-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497141
PNG
(US11001561, Compound 116)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C20H25Cl2N5O2/c1-11-17(26-8-6-20(7-9-26)10-29-12(2)16(20)23)25-19(24)27(18(11)28)14-5-3-4-13(21)15(14)22/h3-5,12,16H,6-10,23H2,1-2H3,(H2,24,25)/t12-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497004
PNG
(US11001561, Compound 3 | US11001561, Compound 3a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N4O2/c1-12-19(23)20(11-28-12)6-8-25(9-7-20)16-10-17(27)26(13(2)24-16)15-5-3-4-14(21)18(15)22/h3-5,10,12,19H,6-9,11,23H2,1-2H3/t12-,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 US11001561 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM497126
PNG
(US11001561, Compound 101)
Show SMILES Cc1nc(N2C[C@H]3CC(CO)C[C@@]3(CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-8-15-6-14(9-28)7-21(15,10-24)11-26)25-13(2)27(20(12)29)17-5-3-4-16(22)18(17)23/h3-5,14-15,28H,6-11,24H2,1-2H3/t14?,15-,21-/m1/s1
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n/an/a 230n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497090
PNG
(US11001561, Compound 74c)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=C(Cl)C(Cl)=CCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-4,6-8,22H,5,9-14,28H2,1-2H3/t22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497001
PNG
(US11001561, Compound 2)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N4O/c1-11-21-14(22-8-6-17(2,20)7-9-22)10-15(24)23(11)13-5-3-4-12(18)16(13)19/h3-5,10H,6-9,20H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497007
PNG
(US11001561, Compound 4)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H22Cl2N4O/c1-12-22-15(23-8-6-18(2,11-21)7-9-23)10-16(25)24(12)14-5-3-4-13(19)17(14)20/h3-5,10H,6-9,11,21H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497144
PNG
(US11001561, Compound 119a)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497099
PNG
(US11001561, Compound 79a)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-20(28-14(2)30(22(13)31)17-7-3-6-16(24)18(17)25)29-11-8-23(9-12-29)19(26)15-5-4-10-27-21(15)32-23/h3-7,10,19H,8-9,11-12,26H2,1-2H3/t19-/m0/s1
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n/an/a 300n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497022
PNG
(US11001561, Compound 18)
Show SMILES Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O/c1-12-17(24-9-7-19(3,11-22)8-10-24)23-13(2)25(18(12)26)15-6-4-5-14(20)16(15)21/h4-6H,7-11,22H2,1-3H3
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n/an/a 370n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497031
PNG
(US11001561, Compound 26)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CCO)CC1
Show InChI InChI=1S/C18H22Cl2N4O2/c1-12-22-15(23-8-5-18(21,6-9-23)7-10-25)11-16(26)24(12)14-4-2-3-13(19)17(14)20/h2-4,11,25H,5-10,21H2,1H3
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n/an/a 380n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497105
PNG
(US11001561, Compound 81a)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m0/s1
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n/an/a 470n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497123
PNG
(US11001561, Compound 98)
Show SMILES COc1ccc(c(Cl)c1Cl)-n1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c(C)c1=O
Show InChI InChI=1S/C22H28Cl2N4O3/c1-12-20(27-9-7-22(8-10-27)11-31-13(2)19(22)25)26-14(3)28(21(12)29)15-5-6-16(30-4)18(24)17(15)23/h5-6,13,19H,7-11,25H2,1-4H3/t13-,19+/m0/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497034
PNG
(US11001561, Compound 29)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CO)CC1
Show InChI InChI=1S/C17H20Cl2N4O2/c1-11-21-14(22-7-5-17(20,10-24)6-8-22)9-15(25)23(11)13-4-2-3-12(18)16(13)19/h2-4,9,24H,5-8,10,20H2,1H3
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n/an/a 510n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497036
PNG
(US11001561, Compound 31)
Show SMILES CNC1(C)CCN(CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N4O/c1-12-22-15(23-9-7-18(2,21-3)8-10-23)11-16(25)24(12)14-6-4-5-13(19)17(14)20/h4-6,11,21H,7-10H2,1-3H3
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n/an/a 560n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497107
PNG
(US11001561, Compound 82)
Show SMILES Cc1nc(N2CCC3(CCC3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-12-18(25-10-8-20(9-11-25)7-6-16(20)23)24-13(2)26(19(12)27)15-5-3-4-14(21)17(15)22/h3-5,16H,6-11,23H2,1-2H3
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n/an/a 560n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497042
PNG
(US11001561, Compound 35)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC2N)CC1
Show InChI InChI=1S/C19H22Cl2N4O/c1-12-23-16(24-9-7-19(8-10-24)6-5-15(19)22)11-17(26)25(12)14-4-2-3-13(20)18(14)21/h2-4,11,15H,5-10,22H2,1H3
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n/an/a 560n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497058
PNG
(US11001561, Compound 50)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)NCC1CCC(O)CC1
Show InChI InChI=1S/C24H32Cl2N4O2/c1-16-28-21(14-22(32)30(16)20-5-3-4-19(25)23(20)26)29-12-10-24(2,11-13-29)27-15-17-6-8-18(31)9-7-17/h3-5,14,17-18,27,31H,6-13,15H2,1-2H3
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n/an/a 560n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497060
PNG
(US11001561, Compound 52)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4ccccc4c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C25H29ClN4O2/c1-15-23(29-12-10-25(11-13-29)14-32-16(2)22(25)27)28-17(3)30(24(15)31)20-9-8-18-6-4-5-7-19(18)21(20)26/h4-9,16,22H,10-14,27H2,1-3H3/t16-,22+/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497113
PNG
(US11001561, Compound 88)
Show SMILES Cc1nc(N2CCC(CN)(CO)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O2/c1-12-17(24-8-6-19(10-22,11-26)7-9-24)23-13(2)25(18(12)27)15-5-3-4-14(20)16(15)21/h3-5,26H,6-11,22H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497029
PNG
(US11001561, Compound 24)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)[C@@H]1N
Show InChI InChI=1S/C21H23Cl2F3N4O2/c1-11-17(27)20(10-32-11)6-8-29(9-7-20)18-15(21(24,25)26)19(31)30(12(2)28-18)14-5-3-4-13(22)16(14)23/h3-5,11,17H,6-10,27H2,1-2H3/t11-,17+/m0/s1
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n/an/a 710n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497008
PNG
(US11001561, Compound 5)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(N)n2)-c2cccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C19H23Cl2N5O2/c1-11-17(22)19(10-28-11)5-7-25(8-6-19)14-9-15(27)26(18(23)24-14)13-4-2-3-12(20)16(13)21/h2-4,9,11,17H,5-8,10,22H2,1H3,(H2,23,24)/t11-,17+/m0/s1
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n/an/a 760n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497087
PNG
(US11001561, Compound 73b)
Show SMILES COc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@@H]2N)CC1
Show InChI InChI=1S/C21H26Cl2N4O3/c1-12-18(24)21(11-30-12)7-9-26(10-8-21)19-17(29-3)20(28)27(13(2)25-19)15-6-4-5-14(22)16(15)23/h4-6,12,18H,7-11,24H2,1-3H3/t12-,18-/m0/s1
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n/an/a 910n/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497016
PNG
(US11001561, Compound 12)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N4O/c1-11-16(23-9-7-18(3,21)8-10-23)22-12(2)24(17(11)25)14-6-4-5-13(19)15(14)20/h4-6H,7-10,21H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497044
PNG
(US11001561, Compound 37a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N
Show InChI InChI=1S/C19H23Cl2N5O2/c1-11-16(22)19(10-28-11)6-8-25(9-7-19)17-23-12(2)26(18(27)24-17)14-5-3-4-13(20)15(14)21/h3-5,11,16H,6-10,22H2,1-2H3/t11-,16+/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497012
PNG
(US11001561, Compound 8)
Show SMILES N[C@@H]1CC(F)(F)CC11CCN(CC1)c1cc(=O)n(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H21Cl2F2N5O/c20-11-2-1-3-12(16(11)21)28-15(29)8-14(26-17(28)25)27-6-4-18(5-7-27)10-19(22,23)9-13(18)24/h1-3,8,13H,4-7,9-10,24H2,(H2,25,26)/t13-/m1/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497024
PNG
(US11001561, Compound 20b)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(-c3cccc(Cl)c3Cl)c(n2)C(F)F)[C@@H]1N
Show InChI InChI=1S/C20H22Cl2F2N4O2/c1-11-17(25)20(10-30-11)5-7-27(8-6-20)14-9-15(29)28(19(26-14)18(23)24)13-4-2-3-12(21)16(13)22/h2-4,9,11,17-18H,5-8,10,25H2,1H3/t11-,17+/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497014
PNG
(US11001561, Compound 10)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H19Cl3N4O/c1-10-22-15(23-8-6-17(2,21)7-9-23)14(20)16(25)24(10)12-5-3-4-11(18)13(12)19/h3-5H,6-9,21H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497132
PNG
(US11001561, Compound 107)
Show SMILES Cc1nc(N2CCCC(C)(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H26Cl2N4O/c1-13-18(25-10-5-8-20(3,12-23)9-11-25)24-14(2)26(19(13)27)16-7-4-6-15(21)17(16)22/h4,6-7H,5,8-12,23H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497052
PNG
(US11001561, Compound 45)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4ccccc4c3)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C25H30N4O2/c1-16-23(28-12-10-25(11-13-28)15-31-17(2)22(25)26)27-18(3)29(24(16)30)21-9-8-19-6-4-5-7-20(19)14-21/h4-9,14,17,22H,10-13,15,26H2,1-3H3/t17-,22+/m0/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497114
PNG
(US11001561, Compound 89)
Show SMILES Cc1nc(N2CCC3(CC3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H22Cl2N4O/c1-11-17(24-8-6-19(7-9-24)10-15(19)22)23-12(2)25(18(11)26)14-5-3-4-13(20)16(14)21/h3-5,15H,6-10,22H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497067
PNG
(US11001561, Compound 58a | US11001561, Compound 58...)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCCC(N)(CC(F)F)CCC1
Show InChI InChI=1S/C20H24Cl2F2N4O/c1-13-26-17(11-18(29)28(13)15-6-2-5-14(21)19(15)22)27-9-3-7-20(25,8-4-10-27)12-16(23)24/h2,5-6,11,16H,3-4,7-10,12,25H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497101
PNG
(US11001561, Compound 80a | US11001561, Compound 80...)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-6,9,12,20H,7-8,10-11,26H2,1-2H3/t20-/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497101
PNG
(US11001561, Compound 80a | US11001561, Compound 80...)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-6,9,12,20H,7-8,10-11,26H2,1-2H3/t20-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497139
PNG
(US11001561, Compound 114)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5O/c1-11-15(24-8-6-18(2,10-21)7-9-24)23-17(22)25(16(11)26)13-5-3-4-12(19)14(13)20/h3-5H,6-10,21H2,1-2H3,(H2,22,23)
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497119
PNG
(US11001561, Compound 94)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H22Cl2N4O/c1-11-16(23-9-7-18(3,21)8-10-23)22-12(2)24(17(11)25)14-6-4-5-13(19)15(14)20/h4-6H,7-10,21H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497046
PNG
(US11001561, Compound 38)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(c1Cl)C(F)(F)F)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C19H22ClF3N4O/c1-12-25-15(26-8-6-18(2,11-24)7-9-26)10-16(28)27(12)14-5-3-4-13(17(14)20)19(21,22)23/h3-5,10H,6-9,11,24H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497025
PNG
(US11001561, Compound 21)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCCC(C)(N)CC1
Show InChI InChI=1S/C18H22Cl2N4O/c1-12-22-15(23-9-4-7-18(2,21)8-10-23)11-16(25)24(12)14-6-3-5-13(19)17(14)20/h3,5-6,11H,4,7-10,21H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497041
PNG
(US11001561, Compound 34)
Show SMILES Cc1nc(N2C[C@H]3COC[C@@]3(CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H22Cl2N4O2/c1-11-17(24-6-13-7-27-10-19(13,8-22)9-24)23-12(2)25(18(11)26)15-5-3-4-14(20)16(15)21/h3-5,13H,6-10,22H2,1-2H3/t13-,19+/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497038
PNG
(US11001561, Compound 32b)
Show SMILES C[C@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C20H23Cl2FN4O2/c1-11-19(24)20(10-29-11)5-7-26(8-6-20)15-9-16(28)27(12(2)25-15)18-14(23)4-3-13(21)17(18)22/h3-4,9,11,19H,5-8,10,24H2,1-2H3/t11-,19-/m1/s1
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n/an/a 1.90E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497116
PNG
(US11001561, Compound 91)
Show SMILES Cc1nc(N2CCCC(CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O/c1-12-18(24-9-4-5-14(11-22)8-10-24)23-13(2)25(19(12)26)16-7-3-6-15(20)17(16)21/h3,6-7,14H,4-5,8-11,22H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497019
PNG
(US11001561, Compound 15)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCCC2CN)CC1
Show InChI InChI=1S/C21H26Cl2N4O/c1-14-25-18(12-19(28)27(14)17-6-2-5-16(22)20(17)23)26-10-8-21(9-11-26)7-3-4-15(21)13-24/h2,5-6,12,15H,3-4,7-11,13,24H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497095
PNG
(US11001561, Compound 78a | US11001561, Compound 78...)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-17(26-10-8-20(9-11-26)7-3-6-15(20)23)25-19(24)27(18(12)28)14-5-2-4-13(21)16(14)22/h2,4-5,15H,3,6-11,23H2,1H3,(H2,24,25)/t15-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497026
PNG
(US11001561, Compound 22)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(CC1)C(N)=O
Show InChI InChI=1S/C17H19Cl2N5O2/c1-10-22-13(23-7-5-17(21,6-8-23)16(20)26)9-14(25)24(10)12-4-2-3-11(18)15(12)19/h2-4,9H,5-8,21H2,1H3,(H2,20,26)
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497048
PNG
(US11001561, Compound 41)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CC1)NC[C@@H](O)CO
Show InChI InChI=1S/C19H24Cl2N4O3/c1-12-23-17(24-7-5-13(6-8-24)22-10-14(27)11-26)9-18(28)25(12)16-4-2-3-15(20)19(16)21/h2-4,9,13-14,22,26-27H,5-8,10-11H2,1H3/t14-/m1/s1
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n/an/a 2.50E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497069
PNG
(US11001561, Compound 59)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1C[C@H]2CC(O)C[C@@]2(CN)C1
Show InChI InChI=1S/C19H22Cl2N4O2/c1-11-23-16(24-8-12-5-13(26)7-19(12,9-22)10-24)6-17(27)25(11)15-4-2-3-14(20)18(15)21/h2-4,6,12-13,26H,5,7-10,22H2,1H3/t12-,13?,19-/m1/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497066
PNG
(US11001561, Compound 57b)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)[C@@H](O)CN
Show InChI InChI=1S/C19H24Cl2N4O2/c1-12-23-16(24-8-6-19(2,7-9-24)15(26)11-22)10-17(27)25(12)14-5-3-4-13(20)18(14)21/h3-5,10,15,26H,6-9,11,22H2,1-2H3/t15-/m0/s1
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n/an/a 3.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497021
PNG
(US11001561, Compound 17)
Show SMILES CC1(CN)CCN(CC1)c1cc(=O)n(-c2cccc(Cl)c2Cl)c(n1)C(F)F
Show InChI InChI=1S/C18H20Cl2F2N4O/c1-18(10-23)5-7-25(8-6-18)13-9-14(27)26(17(24-13)16(21)22)12-4-2-3-11(19)15(12)20/h2-4,9,16H,5-8,10,23H2,1H3
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n/an/a 3.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497027
PNG
(US11001561, Compound 23a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1
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n/an/a 3.40E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497033
PNG
(US11001561, Compound 28)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(O)(CN)CC1
Show InChI InChI=1S/C17H20Cl2N4O2/c1-11-21-14(22-7-5-17(25,10-20)6-8-22)9-15(24)23(11)13-4-2-3-12(18)16(13)19/h2-4,9,25H,5-8,10,20H2,1H3
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n/an/a 3.50E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497015
PNG
(US11001561, Compound 11)
Show SMILES CC1(N)CCN(CC1)c1cc(=O)n(c(n1)C(F)F)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H18Cl2F2N4O/c1-17(22)5-7-24(8-6-17)12-9-13(26)25(16(23-12)15(20)21)11-4-2-3-10(18)14(11)19/h2-4,9,15H,5-8,22H2,1H3
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n/an/a 3.80E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497140
PNG
(US11001561, Compound 115)
Show SMILES CC(O)CC1(N)CCCN(CC1)c1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1C
Show InChI InChI=1S/C21H28Cl2N4O2/c1-13(28)12-21(24)8-5-10-26(11-9-21)19-14(2)20(29)27(15(3)25-19)17-7-4-6-16(22)18(17)23/h4,6-7,13,28H,5,8-12,24H2,1-3H3
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n/an/a 3.80E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497115
PNG
(US11001561, Compound 90)
Show SMILES Cc1nc(N2CCCC3(CCC3N)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-12-18(25-10-4-8-20(11-25)9-7-16(20)23)24-13(2)26(19(12)27)15-6-3-5-14(21)17(15)22/h3,5-6,16H,4,7-11,23H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497023
PNG
(US11001561, Compound 19)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1C[C@H]2COCC[C@@]2(CN)C1
Show InChI InChI=1S/C19H22Cl2N4O2/c1-12-23-16(24-8-13-9-27-6-5-19(13,10-22)11-24)7-17(26)25(12)15-4-2-3-14(20)18(15)21/h2-4,7,13H,5-6,8-11,22H2,1H3/t13-,19+/m0/s1
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n/an/a 4.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497020
PNG
(US11001561, Compound 16)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CO)(CCN)CC1
Show InChI InChI=1S/C19H24Cl2N4O2/c1-13-23-16(24-9-6-19(12-26,5-8-22)7-10-24)11-17(27)25(13)15-4-2-3-14(20)18(15)21/h2-4,11,26H,5-10,12,22H2,1H3
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n/an/a 4.30E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497017
PNG
(US11001561, Compound 13)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CC2CN)CC1
Show InChI InChI=1S/C19H22Cl2N4O/c1-12-23-16(24-7-5-19(6-8-24)10-13(19)11-22)9-17(26)25(12)15-4-2-3-14(20)18(15)21/h2-4,9,13H,5-8,10-11,22H2,1H3
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n/an/a 4.30E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497049
PNG
(US11001561, Compound 42)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(CC1)NC[C@H](O)CO
Show InChI InChI=1S/C19H24Cl2N4O3/c1-12-23-17(24-7-5-13(6-8-24)22-10-14(27)11-26)9-18(28)25(12)16-4-2-3-15(20)19(16)21/h2-4,9,13-14,22,26-27H,5-8,10-11H2,1H3/t14-/m0/s1
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n/an/a 4.30E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497111
PNG
(US11001561, Compound 86)
Show SMILES Cc1nc(N2CCC3(CC3CN)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-12-18(25-8-6-20(7-9-25)10-14(20)11-23)24-13(2)26(19(12)27)16-5-3-4-15(21)17(16)22/h3-5,14H,6-11,23H2,1-2H3
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n/an/a 4.60E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497011
PNG
(US11001561, Compound 7)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccccc2)[C@@H]1N
Show InChI InChI=1S/C20H26N4O2/c1-14-19(21)20(13-26-14)8-10-23(11-9-20)17-12-18(25)24(15(2)22-17)16-6-4-3-5-7-16/h3-7,12,14,19H,8-11,13,21H2,1-2H3/t14-,19+/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497043
PNG
(US11001561, Compound 36)
Show SMILES CCc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1
Show InChI InChI=1S/C22H28Cl2N4O2/c1-4-15-20(27-10-8-22(9-11-27)12-30-13(2)19(22)25)26-14(3)28(21(15)29)17-7-5-6-16(23)18(17)24/h5-7,13,19H,4,8-12,25H2,1-3H3/t13-,19+/m0/s1
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n/an/a 5.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497064
PNG
(US11001561, Compound 56)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CCC(C1)N2
Show InChI InChI=1S/C17H18Cl2N4O/c1-10-20-15(22-8-11-5-6-12(9-22)21-11)7-16(24)23(10)14-4-2-3-13(18)17(14)19/h2-4,7,11-12,21H,5-6,8-9H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497062
PNG
(US11001561, Compound 54)
Show SMILES Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1Cl
Show InChI InChI=1S/C23H27ClN4O/c1-15-21(27-12-10-23(3,14-25)11-13-27)26-16(2)28(22(15)29)19-9-8-17-6-4-5-7-18(17)20(19)24/h4-9H,10-14,25H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497039
PNG
(US11001561, Compound 33a | US11001561, Compound 33...)
Show SMILES Cc1nc(cc(=O)n1-c1c(F)ccc(Cl)c1Cl)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H21Cl2FN4O/c1-11-23-14(24-7-5-18(2,10-22)6-8-24)9-15(26)25(11)17-13(21)4-3-12(19)16(17)20/h3-4,9H,5-8,10,22H2,1-2H3
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n/an/a 5.70E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497125
PNG
(US11001561, Compound 100)
Show SMILES Cc1nc(N2CCN3CC(N)CC3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H23Cl2N5O/c1-11-18(25-7-6-24-9-13(22)8-14(24)10-25)23-12(2)26(19(11)27)16-5-3-4-15(20)17(16)21/h3-5,13-14H,6-10,22H2,1-2H3
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n/an/a 5.80E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497074
PNG
(US11001561, Compound 63 | US11001561, Compound 63a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1
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n/an/a 6.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497061
PNG
(US11001561, Compound 53)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc4nccnc4c3)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C23H28N6O2/c1-14-21(28-10-6-23(7-11-28)13-31-15(2)20(23)24)27-16(3)29(22(14)30)17-4-5-18-19(12-17)26-9-8-25-18/h4-5,8-9,12,15,20H,6-7,10-11,13,24H2,1-3H3/t15-,20+/m0/s1
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n/an/a 6.10E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497085
PNG
(US11001561, Compound 72b)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)N1CC[C@H](O)C1
Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-24-18(12-19(29)27(14)17-5-3-4-16(22)20(17)23)25-10-7-21(2,8-11-25)26-9-6-15(28)13-26/h3-5,12,15,28H,6-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 6.40E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497018
PNG
(US11001561, Compound 14)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CCCC2(CN)C1
Show InChI InChI=1S/C19H22Cl2N4O/c1-12-23-16(24-9-13-4-3-7-19(13,10-22)11-24)8-17(26)25(12)15-6-2-5-14(20)18(15)21/h2,5-6,8,13H,3-4,7,9-11,22H2,1H3
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n/an/a 6.60E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497093
PNG
(US11001561, Compound 76)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2CCO)[C@@H]1N
Show InChI InChI=1S/C22H28Cl2N4O3/c1-13-19(25)22(12-31-13)7-9-27(10-8-22)20-15(6-11-29)21(30)28(14(2)26-20)17-5-3-4-16(23)18(17)24/h3-5,13,19,29H,6-12,25H2,1-2H3/t13-,19+/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497127
PNG
(US11001561, Compound 102)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3c(C)ccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C22H28Cl2N4O2/c1-12-5-6-16(23)17(24)18(12)28-15(4)26-20(13(2)21(28)29)27-9-7-22(8-10-27)11-30-14(3)19(22)25/h5-6,14,19H,7-11,25H2,1-4H3/t14-,19+/m0/s1
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n/an/a 7.30E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497112
PNG
(US11001561, Compound 87)
Show SMILES Cc1nc(N2CC(CN)C(C)(C)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(24-9-13(8-22)19(3,4)10-24)23-12(2)25(18(11)26)15-7-5-6-14(20)16(15)21/h5-7,13H,8-10,22H2,1-4H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497000
PNG
(US11001561, Compound 1)
Show SMILES CSc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N4OS/c1-17(20)6-8-22(9-7-17)13-10-14(24)23(16(21-13)25-2)12-5-3-4-11(18)15(12)19/h3-5,10H,6-9,20H2,1-2H3
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n/an/a 8.60E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497050
PNG
(US11001561, Compound 43)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1cccc2ncsc12
Show InChI InChI=1S/C19H23N5OS/c1-12-17(23-9-7-19(3,20)8-10-23)22-13(2)24(18(12)25)15-6-4-5-14-16(15)26-11-21-14/h4-6,11H,7-10,20H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497059
PNG
(US11001561, Compound 51)
Show SMILES Cc1nc(N2CCc3cccc(N)c3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H20Cl2N4O/c1-12-20(26-10-9-14-5-3-7-17(24)15(14)11-26)25-13(2)27(21(12)28)18-8-4-6-16(22)19(18)23/h3-8H,9-11,24H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497109
PNG
(US11001561, Compound 84)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc4ncsc34)c(=O)c2C)[C@@H]1N
Show InChI InChI=1S/C22H27N5O2S/c1-13-20(26-9-7-22(8-10-26)11-29-14(2)19(22)23)25-15(3)27(21(13)28)17-6-4-5-16-18(17)30-12-24-16/h4-6,12,14,19H,7-11,23H2,1-3H3/t14-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497065
PNG
(US11001561, Compound 57a)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)[C@H](O)CN
Show InChI InChI=1S/C19H24Cl2N4O2/c1-12-23-16(24-8-6-19(2,7-9-24)15(26)11-22)10-17(27)25(12)14-5-3-4-13(20)18(14)21/h3-5,10,15,26H,6-9,11,22H2,1-2H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497057
PNG
(US11001561, Compound 49b)
Show SMILES CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@H](C)[C@H]2N)CC1
Show InChI InChI=1S/C23H30Cl2N4O2/c1-13(2)18-21(28-10-8-23(9-11-28)12-31-14(3)20(23)26)27-15(4)29(22(18)30)17-7-5-6-16(24)19(17)25/h5-7,13-14,20H,8-12,26H2,1-4H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497047
PNG
(US11001561, Compound 39)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H26N4O/c1-15-20(25-12-10-22(3,23)11-13-25)24-16(2)26(21(15)27)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14H,10-13,23H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497009
PNG
(US11001561, Compound 6a | US11001561, Compound 6b)
Show SMILES Nc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(O)CC1
Show InChI InChI=1S/C15H17Cl2N5O2/c16-9-2-1-3-10(13(9)17)22-12(23)8-11(20-14(22)18)21-6-4-15(19,24)5-7-21/h1-3,8,24H,4-7,19H2,(H2,18,20)
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497004
PNG
(US11001561, Compound 3 | US11001561, Compound 3a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C20H24Cl2N4O2/c1-12-19(23)20(11-28-12)6-8-25(9-7-20)16-10-17(27)26(13(2)24-16)15-5-3-4-14(21)18(15)22/h3-5,10,12,19H,6-9,11,23H2,1-2H3/t12-,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 US11001561 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM497096
PNG
(US11001561, Compound 78b)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-17(26-10-8-20(9-11-26)7-3-6-15(20)23)25-19(24)27(18(12)28)14-5-2-4-13(21)16(14)22/h2,4-5,15H,3,6-11,23H2,1H3,(H2,24,25)/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497056
PNG
(US11001561, Compound 49a)
Show SMILES CC(C)c1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1
Show InChI InChI=1S/C23H30Cl2N4O2/c1-13(2)18-21(28-10-8-23(9-11-28)12-31-14(3)20(23)26)27-15(4)29(22(18)30)17-7-5-6-16(24)19(17)25/h5-7,13-14,20H,8-12,26H2,1-4H3/t14-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497071
PNG
(US11001561, Compound 61)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCN2C(CC(N)C2=O)C1
Show InChI InChI=1S/C18H19Cl2N5O2/c1-10-22-15(23-5-6-24-11(9-23)7-13(21)18(24)27)8-16(26)25(10)14-4-2-3-12(19)17(14)20/h2-4,8,11,13H,5-7,9,21H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497067
PNG
(US11001561, Compound 58a | US11001561, Compound 58...)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCCC(N)(CC(F)F)CCC1
Show InChI InChI=1S/C20H24Cl2F2N4O/c1-13-26-17(11-18(29)28(13)15-6-2-5-14(21)19(15)22)27-9-3-7-20(25,8-4-10-27)12-16(23)24/h2,5-6,11,16H,3-4,7-10,12,25H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497054
PNG
(US11001561, Compound 47)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H24N6O/c1-13-18(25-10-6-20(3,21)7-11-25)24-14(2)26(19(13)27)15-4-5-16-17(12-15)23-9-8-22-16/h4-5,8-9,12H,6-7,10-11,21H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497070
PNG
(US11001561, Compound 60)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC2CC3CC(C3(C)C)C2(CN)C1
Show InChI InChI=1S/C23H28Cl2N4O/c1-13-27-19(9-20(30)29(13)17-6-4-5-16(24)21(17)25)28-10-15-7-14-8-18(22(14,2)3)23(15,11-26)12-28/h4-6,9,14-15,18H,7-8,10-12,26H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497037
PNG
(US11001561, Compound 32a)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2c(F)ccc(Cl)c2Cl)[C@@H]1N
Show InChI InChI=1S/C20H23Cl2FN4O2/c1-11-19(24)20(10-29-11)5-7-26(8-6-20)15-9-16(28)27(12(2)25-15)18-14(23)4-3-13(21)17(18)22/h3-4,9,11,19H,5-8,10,24H2,1-2H3/t11-,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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497039
PNG
(US11001561, Compound 33a | US11001561, Compound 33...)
Show SMILES Cc1nc(cc(=O)n1-c1c(F)ccc(Cl)c1Cl)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H21Cl2FN4O/c1-11-23-14(24-7-5-18(2,10-22)6-8-24)9-15(26)25(11)17-13(21)4-3-12(19)16(17)20/h3-4,9H,5-8,10,22H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497045
PNG
(US11001561, Compound 37b)
Show SMILES C[C@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)n2)[C@@H]1N
Show InChI InChI=1S/C19H23Cl2N5O2/c1-11-16(22)19(10-28-11)6-8-25(9-7-19)17-23-12(2)26(18(27)24-17)14-5-3-4-13(20)15(14)21/h3-5,11,16H,6-10,22H2,1-2H3/t11-,16-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497053
PNG
(US11001561, Compound 46)
Show SMILES COCC(O)CNC1CCN(CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H26Cl2N4O3/c1-13-24-18(10-19(28)26(13)17-5-3-4-16(21)20(17)22)25-8-6-14(7-9-25)23-11-15(27)12-29-2/h3-5,10,14-15,23,27H,6-9,11-12H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497072
PNG
(US11001561, Compound 62a)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(CCC[C@H]2N)CC1
Show InChI InChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497081
PNG
(US11001561, Compound 70)
Show SMILES Cc1c(ncn(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N4O/c1-11-15(22-8-6-17(2,20)7-9-22)21-10-23(16(11)24)13-5-3-4-12(18)14(13)19/h3-5,10H,6-9,20H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497063
PNG
(US11001561, Compound 55)
Show SMILES Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H26N6O/c1-14-19(26-10-6-21(3,13-22)7-11-26)25-15(2)27(20(14)28)16-4-5-17-18(12-16)24-9-8-23-17/h4-5,8-9,12H,6-7,10-11,13,22H2,1-3H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497086
PNG
(US11001561, Compound 73a)
Show SMILES COc1c(nc(C)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1
Show InChI InChI=1S/C21H26Cl2N4O3/c1-12-18(24)21(11-30-12)7-9-26(10-8-21)19-17(29-3)20(28)27(13(2)25-19)15-6-4-5-14(22)16(15)23/h4-6,12,18H,7-11,24H2,1-3H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497102
PNG
(US11001561, Compound 80b)
Show SMILES Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H23Cl2N5O2/c1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-6,9,12,20H,7-8,10-11,26H2,1-2H3/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497002
PNG
(US11001561, Compound 2a)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1
Show InChI InChI=1S/C17H20Cl2N4O/c1-11-21-14(22-8-6-17(2,20)7-9-22)10-15(24)23(11)13-5-3-4-12(18)16(13)19/h3-5,10H,6-9,20H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497084
PNG
(US11001561, Compound 72a)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CC1)N1CC[C@@H](O)C1
Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-24-18(12-19(29)27(14)17-5-3-4-16(22)20(17)23)25-10-7-21(2,8-11-25)26-9-6-15(28)13-26/h3-5,12,15,28H,6-11,13H2,1-2H3/t15-/m1/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497091
PNG
(US11001561, Compound 74d)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@@H]3N)CC2)c(C)c(=O)n1C1=CC=C[C@H](Cl)[C@@H]1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,19,21-22H,10-14,28H2,1-2H3/t19-,21-,22-/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497108
PNG
(US11001561, Compound 83)
Show SMILES Cc1nc(N2CCc3cc(N)ccc3C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H20Cl2N4O/c1-12-20(26-9-8-14-10-16(24)7-6-15(14)11-26)25-13(2)27(21(12)28)18-5-3-4-17(22)19(18)23/h3-7,10H,8-9,11,24H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497110
PNG
(US11001561, Compound 85)
Show SMILES Cc1c(NC2CCC(N)CC2)ncn(-c2cccc(Cl)c2Cl)c1=O
Show InChI InChI=1S/C17H20Cl2N4O/c1-10-16(22-12-7-5-11(20)6-8-12)21-9-23(17(10)24)14-4-2-3-13(18)15(14)19/h2-4,9,11-12,22H,5-8,20H2,1H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497118
PNG
(US11001561, Compound 93)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C2CC2)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-12-24-18(25-10-8-20(2,23)9-11-25)16(13-6-7-13)19(27)26(12)15-5-3-4-14(21)17(15)22/h3-5,13H,6-11,23H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497035
PNG
(US11001561, Compound 30)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CC[C@@H](N)[C@@H](O)C1
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9-20-14(21-6-5-11(19)13(23)8-21)7-15(24)22(9)12-4-2-3-10(17)16(12)18/h2-4,7,11,13,23H,5-6,8,19H2,1H3/t11-,13+/m1/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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497030
PNG
(US11001561, Compound 25)
Show SMILES Cc1nc(N2C[C@@H]3CCC[C@]3(CN)C2)c(c(=O)n1-c1cccc(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C20H21Cl2F3N4O/c1-11-27-17(28-8-12-4-3-7-19(12,9-26)10-28)15(20(23,24)25)18(30)29(11)14-6-2-5-13(21)16(14)22/h2,5-6,12H,3-4,7-10,26H2,1H3/t12-,19-/m0/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497013
PNG
(US11001561, Compound 9)
Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)C1=CCC(C)(CN)CC1
Show InChI InChI=1S/C19H21Cl2N3O/c1-12-23-15(13-6-8-19(2,11-22)9-7-13)10-17(25)24(12)16-5-3-4-14(20)18(16)21/h3-6,10H,7-9,11,22H2,1-2H3
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497117
PNG
(US11001561, Compound 92)
Show SMILES Cc1nc(N2CCO[C@H](CN)C2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H20Cl2N4O2/c1-10-16(22-6-7-25-12(8-20)9-22)21-11(2)23(17(10)24)14-5-3-4-13(18)15(14)19/h3-5,12H,6-9,20H2,1-2H3/t12-/m1/s1
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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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497055
PNG
(US11001561, Compound 48)
Show SMILES Cc1nc(N2CCC(C)(N)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1Cl
Show InChI InChI=1S/C22H25ClN4O/c1-14-20(26-12-10-22(3,24)11-13-26)25-15(2)27(21(14)28)18-9-8-16-6-4-5-7-17(16)19(18)23/h4-9H,10-13,24H2,1-3H3
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n/an/a 1.80E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497051
PNG
(US11001561, Compound 44)
Show SMILES Cc1nc(N2CCC(C)(CN)CC2)c(C)c(=O)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H28N4O/c1-16-21(26-12-10-23(3,15-24)11-13-26)25-17(2)27(22(16)28)20-9-8-18-6-4-5-7-19(18)14-20/h4-9,14H,10-13,15,24H2,1-3H3
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n/an/a 1.80E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497009
PNG
(US11001561, Compound 6a | US11001561, Compound 6b)
Show SMILES Nc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(N)(O)CC1
Show InChI InChI=1S/C15H17Cl2N5O2/c16-9-2-1-3-10(13(9)17)22-12(23)8-11(20-14(22)18)21-6-4-15(19,24)5-7-21/h1-3,8,24H,4-7,19H2,(H2,18,20)
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n/an/a 1.90E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497079
PNG
(US11001561, Compound 67a)
Show SMILES Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H26Cl2N4O/c1-13-19(26-11-9-21(10-12-26)8-4-7-17(21)24)25-14(2)27(20(13)28)16-6-3-5-15(22)18(16)23/h3,5-6,17H,4,7-12,24H2,1-2H3/t17-/m1/s1
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n/an/a 1.90E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497082
PNG
(US11001561, Compound 71a | US11001561, Compound 71...)
Show SMILES Cc1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1NC1CCC(C)(N)CC1
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(24-13-7-9-19(3,22)10-8-13)18(26)25(12(2)23-11)15-6-4-5-14(20)16(15)21/h4-6,13,24H,7-10,22H2,1-3H3
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n/an/a 2.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497082
PNG
(US11001561, Compound 71a | US11001561, Compound 71...)
Show SMILES Cc1nc(C)n(-c2cccc(Cl)c2Cl)c(=O)c1NC1CCC(C)(N)CC1
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(24-13-7-9-19(3,22)10-8-13)18(26)25(12(2)23-11)15-6-4-5-14(20)16(15)21/h4-6,13,24H,7-10,22H2,1-3H3
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n/an/a>5.00E+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 US11001561 (2021)

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


(Homo sapiens (Human))
BDBM497095
PNG
(US11001561, Compound 78a | US11001561, Compound 78...)
Show SMILES Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(CCC[C@@H]2N)CC1
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-17(26-10-8-20(9-11-26)7-3-6-15(20)23)25-19(24)27(18(12)28)14-5-2-4-13(21)16(14)22/h2,4-5,15H,3,6-11,23H2,1H3,(H2,24,25)/t15-/m0/s1
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n/an/a>5.00E+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 US11001561 (2021)

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