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Patent code US11000515

Compile Data Set for Download or QSAR
Found 25 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
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485654
PNG
(US10940139, Example 02511 | US11000515, Compound T...)
Show SMILES CC(Oc1cccc(c1)C#N)C(=O)Nc1nnc([nH]1)-c1ccccn1
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485653
PNG
(US10940139, Example 02471 | US11000515, Compound T...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)Nc1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C18H16N6O/c25-16(9-8-12-11-20-14-6-2-1-5-13(12)14)21-18-22-17(23-24-18)15-7-3-4-10-19-15/h1-7,10-11,20H,8-9H2,(H2,21,22,23,24,25)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485657
PNG
(US10940139, Example 02639 | US11000515, Compound T...)
Show SMILES COc1ccc(COCC(=O)N2CCCc3c(O)nc(nc23)-c2ccccn2)cc1
Show InChI InChI=1S/C22H22N4O4/c1-29-16-9-7-15(8-10-16)13-30-14-19(27)26-12-4-5-17-21(26)24-20(25-22(17)28)18-6-2-3-11-23-18/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,25,28)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485659
PNG
(US10940139, Example 02680 | US11000515, Compound T...)
Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCN(CC1)c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C22H19N5O2S/c28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,25,28)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485666
PNG
(US10940139, Example 02769 | US11000515, Compound T...)
Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1ccccc1Cl)-c1ccccn1
Show InChI InChI=1S/C22H17ClN4O3S/c23-15-6-2-1-5-13(15)17-11-27(9-10-30-17)22(29)14-12-31-19-18(14)25-20(26-21(19)28)16-7-3-4-8-24-16/h1-8,12,17H,9-11H2,(H,25,26,28)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485661
PNG
(US10940139, Example 02708 | US11000515, Compound T...)
Show SMILES OCc1ccnc(c1)-c1nc(O)c2ccsc2n1
Show InChI InChI=1S/C12H9N3O2S/c16-6-7-1-3-13-9(5-7)10-14-11(17)8-2-4-18-12(8)15-10/h1-5,16H,6H2,(H,14,15,17)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485655
PNG
(US10940139, Example 02555 | US11000515, Compound T...)
Show SMILES Cc1cccc(OCC(=O)Nc2nnc([nH]2)-c2ccccn2)c1
Show InChI InChI=1S/C16H15N5O2/c1-11-5-4-6-12(9-11)23-10-14(22)18-16-19-15(20-21-16)13-7-2-3-8-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21,22)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485658
PNG
(US10940139, Example 02647 | US11000515, Compound T...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCCc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C20H18N4O4S/c1-29(27,28)14-7-4-6-13(12-14)20(26)24-11-5-8-15-18(24)22-17(23-19(15)25)16-9-2-3-10-21-16/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,22,23,25)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485663
PNG
(US10940139, Example 02734 | US11000515, Compound T...)
Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1nccs1)-c1ccccn1
Show InChI InChI=1S/C19H15N5O3S2/c25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18/h1-5,8,10,13H,6-7,9H2,(H,22,23,25)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485664
PNG
(US10940139, Example 02761 | US11000515, Compound T...)
Show SMILES CC1CN(CCN1C(=O)c1csc2c(O)nc(nc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485672
PNG
(US10940139, Example 02808 | US11000515, Compound T...)
Show SMILES Oc1ccc(cc1)C1CN(CCN1)C(=O)c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C22H19N5O3S/c28-14-6-4-13(5-7-14)17-11-27(10-9-24-17)22(30)15-12-31-19-18(15)25-20(26-21(19)29)16-3-1-2-8-23-16/h1-8,12,17,24,28H,9-11H2,(H,25,26,29)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485671
PNG
(US10940139, Example 02804 | US11000515, Compound T...)
Show SMILES CC(N1CCN(CC1)C(=O)c1csc2c(O)nc(nc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C24H23N5O2S/c1-16(17-7-3-2-4-8-17)28-11-13-29(14-12-28)24(31)18-15-32-21-20(18)26-22(27-23(21)30)19-9-5-6-10-25-19/h2-10,15-16H,11-14H2,1H3,(H,26,27,30)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485660
PNG
(US10940139, Example 02704 | US11000515, Compound T...)
Show SMILES Oc1nc(nc2sccc12)-c1ccccn1
Show InChI InChI=1S/C11H7N3OS/c15-10-7-4-6-16-11(7)14-9(13-10)8-3-1-2-5-12-8/h1-6H,(H,13,14,15)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485676
PNG
(US10940139, Example 02903 | US11000515, Compound T...)
Show SMILES CCn1nc(C)cc1-c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C17H15N5OS/c1-3-22-13(8-10(2)21-22)11-9-24-15-14(11)19-16(20-17(15)23)12-6-4-5-7-18-12/h4-9H,3H2,1-2H3,(H,19,20,23)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485667
PNG
(US10940139, Example 02773 | US11000515, Compound T...)
Show SMILES COc1cccc(c1)C1CN(CCN1)C(=O)c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C23H21N5O3S/c1-31-15-6-4-5-14(11-15)18-12-28(10-9-25-18)23(30)16-13-32-20-19(16)26-21(27-22(20)29)17-7-2-3-8-24-17/h2-8,11,13,18,25H,9-10,12H2,1H3,(H,26,27,29)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485656
PNG
(US10940139, Example 02592 | US11000515, Compound T...)
Show SMILES O=c1nc([nH]c2c3ccccc3sc12)-c1ccccn1
Show InChI InChI=1S/C15H9N3OS/c19-15-13-12(9-5-1-2-7-11(9)20-13)17-14(18-15)10-6-3-4-8-16-10/h1-8H,(H,17,18,19)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485665
PNG
(US10940139, Example 02767 | US11000515, Compound T...)
Show SMILES COc1ccccc1C1CN(CCO1)C(=O)c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C23H20N4O4S/c1-30-17-8-3-2-6-14(17)18-12-27(10-11-31-18)23(29)15-13-32-20-19(15)25-21(26-22(20)28)16-7-4-5-9-24-16/h2-9,13,18H,10-12H2,1H3,(H,25,26,28)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485662
PNG
(US10940139, Example 02726 | US11000515, Compound T...)
Show SMILES Oc1cccc(CN2CCN(CC2)C(=O)c2csc3c(O)nc(nc23)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N5O3S/c29-16-5-3-4-15(12-16)13-27-8-10-28(11-9-27)23(31)17-14-32-20-19(17)25-21(26-22(20)30)18-6-1-2-7-24-18/h1-7,12,14,29H,8-11,13H2,(H,25,26,30)
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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485669
PNG
(US10940139, Example 02800 | US11000515, Compound T...)
Show SMILES OCc1ccnc(c1)-c1nc(O)c2c(Cl)csc2n1
Show InChI InChI=1S/C12H8ClN3O2S/c13-7-5-19-12-9(7)11(18)15-10(16-12)8-3-6(4-17)1-2-14-8/h1-3,5,17H,4H2,(H,15,16,18)
PDB

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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485670
PNG
(US10940139, Example 02803 | US11000515, Compound T...)
Show SMILES Oc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C22H18ClN5O3S/c23-15-11-13(4-5-17(15)29)27-7-9-28(10-8-27)22(31)14-12-32-19-18(14)25-20(26-21(19)30)16-3-1-2-6-24-16/h1-6,11-12,29H,7-10H2,(H,25,26,30)
PDB

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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485668
PNG
(US10940139, Example 02799 | US11000515, Compound T...)
Show SMILES O=C(COCc1ccc(cc1)C#N)Nc1nc(nc2sccc12)-c1ccccn1
Show InChI InChI=1S/C21H15N5O2S/c22-11-14-4-6-15(7-5-14)12-28-13-18(27)24-19-16-8-10-29-21(16)26-20(25-19)17-3-1-2-9-23-17/h1-10H,12-13H2,(H,24,25,26,27)
PDB

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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485675
PNG
(US10940139, Example 02901 | US11000515, Compound T...)
Show SMILES CN(C)Cc1ccc(F)c(c1)-c1csc2c(O)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C20H17FN4OS/c1-25(2)10-12-6-7-15(21)13(9-12)14-11-27-18-17(14)23-19(24-20(18)26)16-5-3-4-8-22-16/h3-9,11H,10H2,1-2H3,(H,23,24,26)
PDB

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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485677
PNG
(US10940139, Example 02907 | US11000515, Compound T...)
Show SMILES COC(=O)c1cc2nc(nc(O)c2s1)-c1ccccn1
Show InChI InChI=1S/C13H9N3O3S/c1-19-13(18)9-6-8-10(20-9)12(17)16-11(15-8)7-4-2-3-5-14-7/h2-6H,1H3,(H,15,16,17)
PDB

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Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485673
PNG
(US10940139, Example 02899 | US11000515, Compound T...)
Show SMILES CN1CCN(CC1)c1nc(nc2scc(C(=O)NCCc3cnc(O)nc3)c12)-c1ccccn1
Show InChI InChI=1S/C23H24N8O2S/c1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

More data for this
Ligand-Target Pair
GTPase KRas (G12D, Q61H)


(Homo sapiens (Human))
BDBM485674
PNG
(US10940139, Example 02900 | US11000515, Compound T...)
Show SMILES Oc1nc(nc2c(csc12)-c1cc(F)cc(F)c1)-c1ccccn1
Show InChI InChI=1S/C17H9F2N3OS/c18-10-5-9(6-11(19)7-10)12-8-24-15-14(12)21-16(22-17(15)23)13-3-1-2-4-20-13/h1-8H,(H,21,22,23)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Shy Therapeutics LLC

US Patent


Assay Description
Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...


US Patent US11000515 (2021)

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