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Found 10 hits Enz. Inhib. hit(s) with Target = 'Kinase suppressor of Ras 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinase suppressor of Ras 2


(Human)
BDBM429286
PNG
(APS-2-79 | US10548897, Compound 21)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
Show InChI InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
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n/an/a 120n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinase suppressor of Ras 2


(Human)
BDBM50095227
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(4-phenoxy-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
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n/an/a 602n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM429418
PNG
(APS-2-12 | US10548897, Compound 10)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM429420
PNG
(APS-2-16 | D3RKN_87 | US10548897, Compound 11)
Show SMILES COc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20N2O3/c1-26-22-14-19-20(12-13-24-21(19)15-23(22)27-2)25-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KSR2 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 6.82E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human KSR2 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM50227519
PNG
(4-(6,7-dimethoxyquinazolin-4-ylamino)phenol | CHEM...)
Show SMILES COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM50291090
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...)
Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-12-6-4-11(5-7-12)20-17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM429421
PNG
(APS-3-6 | US10548897, Compound 32)
Show SMILES COc1cc2n(C)cn\c(=N/c3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H21N3O3/c1-26-15-24-23(19-13-21(27-2)22(28-3)14-20(19)26)25-16-9-11-18(12-10-16)29-17-7-5-4-6-8-17/h4-15H,1-3H3/b25-23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair
Kinase suppressor of Ras 2


(Human)
BDBM429415
PNG
(APS-3-77 | US10548897, Compound 50)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)c(C)c3C)c2cc1OC
Show InChI InChI=1S/C24H23N3O3/c1-15-16(2)21(30-17-8-6-5-7-9-17)11-10-19(15)27-24-18-12-22(28-3)23(29-4)13-20(18)25-14-26-24/h5-14H,1-4H3,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

US Patent


Assay Description
The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...


US Patent US10548897 (2020)


BindingDB Entry DOI: 10.7270/Q25H7JMP
More data for this
Ligand-Target Pair