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Patent code WO2022093856

Compile Data Set for Download or QSAR
Found 62 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 [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548364
PNG
(WO2022093856, Example 1-59)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(ccc12)-c1nccs1)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H35N7O2S/c1-5-24(37)35-16-28(17-35)8-10-34(15-28)27-32-22-13-19(26-30-9-11-38-26)6-7-21(22)25(33-27)31-20(12-18(2)3)14-23(36)29-4/h5-7,9,11,13,18,20H,1,8,10,12,14-17H2,2-4H3,(H,29,36)(H,31,32,33)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 10n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548305
PNG
(WO2022093856, Example 1-2)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(C)CCc12)N1CC2(CN(C2)C(=O)C=C)C(F)(F)C1
Show InChI InChI=1S/C26H38F2N6O2/c1-6-22(36)33-12-25(13-33)14-34(15-26(25,27)28)24-31-20-10-17(4)7-8-19(20)23(32-24)30-18(9-16(2)3)11-21(35)29-5/h6,16-18H,1,7-15H2,2-5H3,(H,29,35)(H,30,31,32)/t17?,18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 19n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548347
PNG
(WO2022093856, Example 1-42)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(OC)cnc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H35N7O3/c1-6-21(34)32-14-25(15-32)7-8-31(13-25)24-29-19-11-18(35-5)12-27-22(19)23(30-24)28-17(9-16(2)3)10-20(33)26-4/h6,11-12,16-17H,1,7-10,13-15H2,2-5H3,(H,26,33)(H,28,29,30)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 22n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548341
PNG
(WO2022093856, Example 1-36)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(cnc12)-c1nccs1)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C27H34N8O2S/c1-5-22(37)35-15-27(16-35)6-8-34(14-27)26-32-20-11-18(25-29-7-9-38-25)13-30-23(20)24(33-26)31-19(10-17(2)3)12-21(36)28-4/h5,7,9,11,13,17,19H,1,6,8,10,12,14-16H2,2-4H3,(H,28,36)(H,31,32,33)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 23n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548358
PNG
(WO2022093856, Example 1-53)
Show SMILES CC(C)C[C@@H](Cc1cc(C)on1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C29H42N6O2/c1-7-25(36)35-17-29(18-35)10-11-34(16-29)27-31-24-15-28(5,6)9-8-23(24)26(32-27)30-21(12-19(2)3)14-22-13-20(4)37-33-22/h7,13,19,21H,1,8-12,14-18H2,2-6H3,(H,30,31,32)/t21-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 24n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548357
PNG
(WO2022093856, Example 1-52)
Show SMILES CC(C)C[C@@H](Cc1nnc(C)o1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7O2/c1-7-24(36)35-16-28(17-35)10-11-34(15-28)26-30-22-14-27(5,6)9-8-21(22)25(31-26)29-20(12-18(2)3)13-23-33-32-19(4)37-23/h7,18,20H,1,8-17H2,2-6H3,(H,29,30,31)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 39n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548359
PNG
(WO2022093856, Example 1-54)
Show SMILES CC(C)C[C@@H](Cc1ncc[nH]1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

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WIPO WO2022093856
n/an/a 49n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548356
PNG
(WO2022093856, Example 1-51)
Show SMILES CC(C)C[C@@H](Cc1nnc(C)s1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7OS/c1-7-24(36)35-16-28(17-35)10-11-34(15-28)26-30-22-14-27(5,6)9-8-21(22)25(31-26)29-20(12-18(2)3)13-23-33-32-19(4)37-23/h7,18,20H,1,8-17H2,2-6H3,(H,29,30,31)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 50n/an/an/an/an/an/a



AMGEN INC.

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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548353
PNG
(WO2022093856, Example 1-48)
Show SMILES CC(C)C[C@@H](Cc1ccon1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H40N6O2/c1-6-24(35)34-17-28(18-34)10-11-33(16-28)26-30-23-15-27(4,5)9-7-22(23)25(31-26)29-21(13-19(2)3)14-20-8-12-36-32-20/h6,8,12,19,21H,1,7,9-11,13-18H2,2-5H3,(H,29,30,31)/t21-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 53n/an/an/an/an/an/a



AMGEN INC.

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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548337
PNG
(WO2022093856, Example 1-32)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(CCc12)C(F)(F)F)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H37F3N6O2/c1-5-22(37)35-14-25(15-35)8-9-34(13-25)24-32-20-11-17(26(27,28)29)6-7-19(20)23(33-24)31-18(10-16(2)3)12-21(36)30-4/h5,16-18H,1,6-15H2,2-4H3,(H,30,36)(H,31,32,33)/t17?,18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 57n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548334
PNG
(WO2022093856, Example 1-29)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C27H42N6O2/c1-7-23(35)33-16-27(17-33)10-11-32(15-27)25-30-21-14-26(4,5)9-8-20(21)24(31-25)29-19(12-18(2)3)13-22(34)28-6/h7,18-19H,1,8-17H2,2-6H3,(H,28,34)(H,29,30,31)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 57n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548360
PNG
(WO2022093856, Example 1-55)
Show SMILES CC(C)C[C@@H](Cc1c[nH]nn1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

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WIPO WO2022093856
n/an/a 57n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548343
PNG
(WO2022093856, Example 1-38)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(cnc12)C1CC1)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C27H37N7O2/c1-5-23(36)34-15-27(16-34)8-9-33(14-27)26-31-21-11-19(18-6-7-18)13-29-24(21)25(32-26)30-20(10-17(2)3)12-22(35)28-4/h5,11,13,17-18,20H,1,6-10,12,14-16H2,2-4H3,(H,28,35)(H,30,31,32)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 60n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548323
PNG
(WO2022093856, Example 1-20)
Show SMILES CC(C)C[C@@H](Cc1nnc[nH]1)Nc1nc(nc2cc(ccc12)C(C)C)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

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WIPO WO2022093856
n/an/a 84n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548345
PNG
(WO2022093856, Example 1-40)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(ccc12)C1CC1)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H38N6O2/c1-5-25(36)34-16-28(17-34)10-11-33(15-28)27-31-23-13-20(19-6-7-19)8-9-22(23)26(32-27)30-21(12-18(2)3)14-24(35)29-4/h5,8-9,13,18-19,21H,1,6-7,10-12,14-17H2,2-4H3,(H,29,35)(H,30,31,32)/t21-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 84n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548354
PNG
(WO2022093856, Example 1-49)
Show SMILES CC(C)C[C@@H](Cc1ccno1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H40N6O2/c1-6-24(35)34-17-28(18-34)10-12-33(16-28)26-31-23-15-27(4,5)9-7-22(23)25(32-26)30-20(13-19(2)3)14-21-8-11-29-36-21/h6,8,11,19-20H,1,7,9-10,12-18H2,2-5H3,(H,30,31,32)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 93n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548348
PNG
(WO2022093856, Example 1-43)
Show SMILES CC(C)C[C@@H](Cc1nccs1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H40N6OS/c1-6-24(35)34-17-28(18-34)9-11-33(16-28)26-31-22-15-27(4,5)8-7-21(22)25(32-26)30-20(13-19(2)3)14-23-29-10-12-36-23/h6,10,12,19-20H,1,7-9,11,13-18H2,2-5H3,(H,30,31,32)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 121n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548340
PNG
(WO2022093856, Example 1-35)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(ccc12)C(F)(F)F)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H33F3N6O2/c1-5-22(37)35-14-25(15-35)8-9-34(13-25)24-32-20-11-17(26(27,28)29)6-7-19(20)23(33-24)31-18(10-16(2)3)12-21(36)30-4/h5-7,11,16,18H,1,8-10,12-15H2,2-4H3,(H,30,36)(H,31,32,33)/t18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 142n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548351
PNG
(WO2022093856, Example 1-46)
Show SMILES CC(C)C[C@@H](Cn1cccn1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7O/c1-6-24(36)34-18-28(19-34)10-13-33(17-28)26-31-23-15-27(4,5)9-8-22(23)25(32-26)30-21(14-20(2)3)16-35-12-7-11-29-35/h6-7,11-12,20-21H,1,8-10,13-19H2,2-5H3,(H,30,31,32)/t21-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 162n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548331
PNG
(WO2022093856, Example 1-26)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(ccc12)C#N)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H33N7O2/c1-5-23(35)33-15-26(16-33)8-9-32(14-26)25-30-21-11-18(13-27)6-7-20(21)24(31-25)29-19(10-17(2)3)12-22(34)28-4/h5-7,11,17,19H,1,8-10,12,14-16H2,2-4H3,(H,28,34)(H,29,30,31)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 180n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548333
PNG
(WO2022093856, Example 1-28)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(C)CCc12)N1CC(F)C2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H39FN6O2/c1-6-23(35)33-14-26(15-33)13-32(12-21(26)27)25-30-20-10-17(4)7-8-19(20)24(31-25)29-18(9-16(2)3)11-22(34)28-5/h6,16-18,21H,1,7-15H2,2-5H3,(H,28,34)(H,29,30,31)/t17?,18-,21?/m0/s1
PDB

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WIPO WO2022093856
n/an/a 196n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548306
PNG
(WO2022093856, Example 1-3)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H40N6O2/c1-6-23(34)32-15-26(16-32)9-10-31(14-26)25-29-21-12-18(4)7-8-20(21)24(30-25)28-19(11-17(2)3)13-22(33)27-5/h6,17-19H,1,7-16H2,2-5H3,(H,27,33)(H,28,29,30)/t18?,19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 216n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548335
PNG
(WO2022093856, Example 1-30)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(Cl)ccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H33ClN6O2/c1-5-22(34)32-14-25(15-32)8-9-31(13-25)24-29-20-11-17(26)6-7-19(20)23(30-24)28-18(10-16(2)3)12-21(33)27-4/h5-7,11,16,18H,1,8-10,12-15H2,2-4H3,(H,27,33)(H,28,29,30)/t18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 265n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548321
PNG
(WO2022093856, Example 1-18)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ccccc12)N1CC2(CN(C2)C(=O)C=C)C(F)(F)C1
Show InChI InChI=1S/C25H32F2N6O2/c1-5-21(35)32-12-24(13-32)14-33(15-25(24,26)27)23-30-19-9-7-6-8-18(19)22(31-23)29-17(10-16(2)3)11-20(34)28-4/h5-9,16-17H,1,10-15H2,2-4H3,(H,28,34)(H,29,30,31)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 334n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548330
PNG
(WO2022093856, Example 1-25)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(C)ccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H36N6O2/c1-6-23(34)32-15-26(16-32)9-10-31(14-26)25-29-21-12-18(4)7-8-20(21)24(30-25)28-19(11-17(2)3)13-22(33)27-5/h6-8,12,17,19H,1,9-11,13-16H2,2-5H3,(H,27,33)(H,28,29,30)/t19-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 339n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548339
PNG
(WO2022093856, Example 1-34)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(C)cnc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H35N7O2/c1-6-21(34)32-14-25(15-32)7-8-31(13-25)24-29-19-10-17(4)12-27-22(19)23(30-24)28-18(9-16(2)3)11-20(33)26-5/h6,10,12,16,18H,1,7-9,11,13-15H2,2-5H3,(H,26,33)(H,28,29,30)/t18-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 372n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548349
PNG
(WO2022093856, Example 1-44)
Show SMILES CC(C)C[C@@H](Cc1noc(C)n1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7O2/c1-7-24(36)35-16-28(17-35)10-11-34(15-28)26-31-22-14-27(5,6)9-8-21(22)25(32-26)30-20(12-18(2)3)13-23-29-19(4)37-33-23/h7,18,20H,1,8-17H2,2-6H3,(H,30,31,32)/t20-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 380n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548314
PNG
(WO2022093856, Example 1-11)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2scnc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C22H31N7O2S/c1-5-17(31)29-11-22(12-29)6-7-28(10-22)21-26-19(18-20(27-21)32-13-24-18)25-15(8-14(2)3)9-16(30)23-4/h5,13-15H,1,6-12H2,2-4H3,(H,23,30)(H,25,26,27)/t15-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 395n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548363
PNG
(WO2022093856, Example 1-58)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(C)ccc12)N1CCC2(CN(C2)C(=O)C(=C)C(F)(F)F)C1
Show InChI InChI=1S/C27H35F3N6O2/c1-16(2)10-19(12-22(37)31-5)32-23-20-7-6-17(3)11-21(20)33-25(34-23)35-9-8-26(13-35)14-36(15-26)24(38)18(4)27(28,29)30/h6-7,11,16,19H,4,8-10,12-15H2,1-3,5H3,(H,31,37)(H,32,33,34)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 403n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548309
PNG
(WO2022093856, Example 1-6)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(cc2ccccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H35N5O2/c1-5-24(33)31-16-26(17-31)10-11-30(15-26)22-13-19-8-6-7-9-21(19)25(29-22)28-20(12-18(2)3)14-23(32)27-4/h5-9,13,18,20H,1,10-12,14-17H2,2-4H3,(H,27,32)(H,28,29)/t20-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 424n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548336
PNG
(WO2022093856, Example 1-31)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCOc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C24H36N6O3/c1-5-20(32)30-14-24(15-30)8-9-29(13-24)23-27-18-7-6-10-33-21(18)22(28-23)26-17(11-16(2)3)12-19(31)25-4/h5,16-17H,1,6-15H2,2-4H3,(H,25,31)(H,26,27,28)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 428n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548338
PNG
(WO2022093856, Example 1-33)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCC(C)Cc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H40N6O2/c1-6-23(34)32-15-26(16-32)9-10-31(14-26)25-29-21-8-7-18(4)12-20(21)24(30-25)28-19(11-17(2)3)13-22(33)27-5/h6,17-19H,1,7-16H2,2-5H3,(H,27,33)(H,28,29,30)/t18?,19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 446n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548312
PNG
(WO2022093856, Example 1-9)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CN(Cc12)C(C)=O)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H37N7O3/c1-6-22(35)32-14-25(15-32)7-8-30(13-25)24-28-20-12-31(17(4)33)11-19(20)23(29-24)27-18(9-16(2)3)10-21(34)26-5/h6,16,18H,1,7-15H2,2-5H3,(H,26,34)(H,27,28,29)/t18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 472n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548310
PNG
(WO2022093856, Example 1-7)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ccoc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C23H32N6O3/c1-5-19(31)29-13-23(14-29)7-8-28(12-23)22-26-17-6-9-32-20(17)21(27-22)25-16(10-15(2)3)11-18(30)24-4/h5-6,9,15-16H,1,7-8,10-14H2,2-4H3,(H,24,30)(H,25,26,27)/t16-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 494n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548344
PNG
(WO2022093856, Example 1-39)
Show SMILES CC(C)C[C@@H](Cc1nc(C)no1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7O2/c1-7-24(36)35-16-28(17-35)10-11-34(15-28)26-31-22-14-27(5,6)9-8-21(22)25(32-26)30-20(12-18(2)3)13-23-29-19(4)33-37-23/h7,18,20H,1,8-17H2,2-6H3,(H,30,31,32)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 685n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548365
PNG
(WO2022093856, Example 1-1 | WO2022093856, Example ...)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H38N6O2/c1-5-22(33)31-15-25(16-31)10-11-30(14-25)24-28-20-9-7-6-8-19(20)23(29-24)27-18(12-17(2)3)13-21(32)26-4/h5,17-18H,1,6-16H2,2-4H3,(H,26,32)(H,27,28,29)/t18-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 702n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548342
PNG
(WO2022093856, Example 1-37)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cccnc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C24H33N7O2/c1-5-20(33)31-14-24(15-31)8-10-30(13-24)23-28-18-7-6-9-26-21(18)22(29-23)27-17(11-16(2)3)12-19(32)25-4/h5-7,9,16-17H,1,8,10-15H2,2-4H3,(H,25,32)(H,27,28,29)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 743n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548346
PNG
(WO2022093856, Example 1-41)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ccc(C)cc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H36N6O2/c1-6-23(34)32-15-26(16-32)9-10-31(14-26)25-29-21-8-7-18(4)12-20(21)24(30-25)28-19(11-17(2)3)13-22(33)27-5/h6-8,12,17,19H,1,9-11,13-16H2,2-5H3,(H,27,33)(H,28,29,30)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 779n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548352
PNG
(WO2022093856, Example 1-47)
Show SMILES CC(C)C[C@@H](Cn1ccnn1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C27H40N8O/c1-6-23(36)34-17-27(18-34)9-11-33(16-27)25-30-22-14-26(4,5)8-7-21(22)24(31-25)29-20(13-19(2)3)15-35-12-10-28-32-35/h6,10,12,19-20H,1,7-9,11,13-18H2,2-5H3,(H,29,30,31)/t20-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 822n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548326
PNG
(WO2022093856, Example 1-22)
Show SMILES CC(C)C[C@@H](CC1=NN=[c](C)[o]1)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

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WIPO WO2022093856
n/an/a 830n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548313
PNG
(WO2022093856, Example 1-10)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cn(C)nc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C23H34N8O2/c1-6-19(33)31-13-23(14-31)7-8-30(12-23)22-26-17-11-29(5)28-20(17)21(27-22)25-16(9-15(2)3)10-18(32)24-4/h6,11,15-16H,1,7-10,12-14H2,2-5H3,(H,24,32)(H,25,26,27)/t16-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 916n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548319
PNG
(WO2022093856, Example 1-16)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2n(C)ccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C24H35N7O2/c1-6-20(33)31-14-24(15-31)8-10-30(13-24)23-27-21(18-7-9-29(5)22(18)28-23)26-17(11-16(2)3)12-19(32)25-4/h6-7,9,16-17H,1,8,10-15H2,2-5H3,(H,25,32)(H,26,27,28)/t17-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 918n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548308
PNG
(WO2022093856, Example 1-5)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ccccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H34N6O2/c1-5-22(33)31-15-25(16-31)10-11-30(14-25)24-28-20-9-7-6-8-19(20)23(29-24)27-18(12-17(2)3)13-21(32)26-4/h5-9,17-18H,1,10-16H2,2-4H3,(H,26,32)(H,27,28,29)/t18-/m0/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 1.10E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548311
PNG
(WO2022093856, Example 1-8)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2[C@H](C)CCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H40N6O2/c1-6-22(34)32-15-26(16-32)10-11-31(14-26)25-29-23-18(4)8-7-9-20(23)24(30-25)28-19(12-17(2)3)13-21(33)27-5/h6,17-19H,1,7-16H2,2-5H3,(H,27,33)(H,28,29,30)/t18-,19+/m1/s1
PDB

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UniChem
WIPO WO2022093856
n/an/a 1.10E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548327
PNG
(WO2022093856, Example 1-23)
Show SMILES CC(C)C[C@@H](Cc1ncc[nH]1)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

GoogleScholar
UniChem
WIPO WO2022093856
n/an/a 1.16E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548355
PNG
(WO2022093856, Example 1-50)
Show SMILES CNC(=O)C[C@H](Cc1ccccc1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C30H40N6O2/c1-5-26(38)36-19-30(20-36)13-14-35(18-30)28-33-24-17-29(2,3)12-11-23(24)27(34-28)32-22(16-25(37)31-4)15-21-9-7-6-8-10-21/h5-10,22H,1,11-20H2,2-4H3,(H,31,37)(H,32,33,34)/t22-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 1.31E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548350
PNG
(WO2022093856, Example 1-45)
Show SMILES CC(C)C[C@@H](Cn1cncn1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C27H40N8O/c1-6-23(36)34-15-27(16-34)9-10-33(14-27)25-31-22-12-26(4,5)8-7-21(22)24(32-25)30-20(11-19(2)3)13-35-18-28-17-29-35/h6,17-20H,1,7-16H2,2-5H3,(H,30,31,32)/t20-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 1.51E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548362
PNG
(WO2022093856, Example 1-57)
Show SMILES CC(C)C[C@@H](Cc1ncco1)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H36N6O2/c1-4-23(33)32-16-26(17-32)9-11-31(15-26)25-29-21-8-6-5-7-20(21)24(30-25)28-19(13-18(2)3)14-22-27-10-12-34-22/h4,10,12,18-19H,1,5-9,11,13-17H2,2-3H3,(H,28,29,30)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 2.11E+3n/an/an/an/an/an/a



AMGEN INC.

WIPO




WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548307
PNG
(WO2022093856, Example 1-4)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C24H36N6O2/c1-5-21(32)30-14-24(15-30)9-10-29(13-24)23-27-19-8-6-7-18(19)22(28-23)26-17(11-16(2)3)12-20(31)25-4/h5,16-17H,1,6-15H2,2-4H3,(H,25,31)(H,26,27,28)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 2.37E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548332
PNG
(WO2022093856, Example 1-27)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ccccc12)N1CC(F)C2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H33FN6O2/c1-5-22(34)32-14-25(15-32)13-31(12-20(25)26)24-29-19-9-7-6-8-18(19)23(30-24)28-17(10-16(2)3)11-21(33)27-4/h5-9,16-17,20H,1,10-15H2,2-4H3,(H,27,33)(H,28,29,30)/t17-,20?/m0/s1
PDB

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WIPO WO2022093856
n/an/a 3.49E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548315
PNG
(WO2022093856, Example 1-12)
Show SMILES CC(C)C[C@@H](CC1=NC(C)(C)C(=O)N1)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C28H41N7O2/c1-6-23(36)35-16-28(17-35)11-12-34(15-28)26-30-21-10-8-7-9-20(21)24(32-26)29-19(13-18(2)3)14-22-31-25(37)27(4,5)33-22/h6,18-19H,1,7-17H2,2-5H3,(H,29,30,32)(H,31,33,37)/t19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 3.93E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548322
PNG
(WO2022093856, Example 1-19)
Show SMILES CC(C)C[C@@H](Cc1nnc[nH]1)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
PDB

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WIPO WO2022093856
n/an/a 4.17E+3n/an/an/an/an/an/a



AMGEN INC.

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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548318
PNG
(WO2022093856, Example 1-15)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2[C@@H](C)CCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C26H40N6O2/c1-6-22(34)32-15-26(16-32)10-11-31(14-26)25-29-23-18(4)8-7-9-20(23)24(30-25)28-19(12-17(2)3)13-21(33)27-5/h6,17-19H,1,7-16H2,2-5H3,(H,27,33)(H,28,29,30)/t18-,19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 4.42E+3n/an/an/an/an/an/a



AMGEN INC.

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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548328
PNG
(WO2022093856, Example 1-24-1)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCCc12)N1CC2(CN(C2)C(=O)C=C)C[C@@H]1CO
Show InChI InChI=1S/C26H40N6O3/c1-5-23(35)31-14-26(15-31)12-19(13-33)32(16-26)25-29-21-9-7-6-8-20(21)24(30-25)28-18(10-17(2)3)11-22(34)27-4/h5,17-19,33H,1,6-16H2,2-4H3,(H,27,34)(H,28,29,30)/t18-,19+/m0/s1
PDB

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WIPO WO2022093856
n/an/a 4.58E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548361
PNG
(WO2022093856, Example 1-56)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cnccc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C24H33N7O2/c1-5-21(33)31-14-24(15-31)7-9-30(13-24)23-28-19-12-26-8-6-18(19)22(29-23)27-17(10-16(2)3)11-20(32)25-4/h5-6,8,12,16-17H,1,7,9-11,13-15H2,2-4H3,(H,25,32)(H,27,28,29)/t17-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 4.84E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548316
PNG
(WO2022093856, Example 1-13)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2COCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C23H34N6O3/c1-5-20(31)29-13-23(14-29)6-7-28(12-23)22-26-18-11-32-10-17(18)21(27-22)25-16(8-15(2)3)9-19(30)24-4/h5,15-16H,1,6-14H2,2-4H3,(H,24,30)(H,25,26,27)/t16-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 5.85E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548365
PNG
(WO2022093856, Example 1-1 | WO2022093856, Example ...)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C25H38N6O2/c1-5-22(33)31-15-25(16-31)10-11-30(14-25)24-28-20-9-7-6-8-19(20)23(29-24)27-18(12-17(2)3)13-21(32)26-4/h5,17-18H,1,6-16H2,2-4H3,(H,26,32)(H,27,28,29)/t18-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 8.28E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548320
PNG
(WO2022093856, Example 1-17)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2n(C)cnc12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C23H34N8O2/c1-6-18(33)31-12-23(13-31)7-8-30(11-23)22-27-20(19-21(28-22)29(5)14-25-19)26-16(9-15(2)3)10-17(32)24-4/h6,14-16H,1,7-13H2,2-5H3,(H,24,32)(H,26,27,28)/t16-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 8.79E+3n/an/an/an/an/an/a



AMGEN INC.

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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548324
PNG
(WO2022093856, Example 1-21-1)
Show SMILES CNC(=O)C[C@H](Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H33N7O2/c1-3-25(37)35-17-28(18-35)11-12-34(16-28)27-32-22-10-5-4-9-21(22)26(33-27)31-23(14-24(36)30-2)20-8-6-7-19(13-20)15-29/h3,6-8,13,23H,1,4-5,9-12,14,16-18H2,2H3,(H,30,36)(H,31,32,33)/t23-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 9.09E+3n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548329
PNG
(WO2022093856, Example 1-24-2)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CCCCc12)N1CC2(CN(C2)C(=O)C=C)C[C@H]1CO
Show InChI InChI=1S/C26H40N6O3/c1-5-23(35)31-14-26(15-31)12-19(13-33)32(16-26)25-29-21-9-7-6-8-20(21)24(30-25)28-18(10-17(2)3)11-22(34)27-4/h5,17-19,33H,1,6-16H2,2-4H3,(H,27,34)(H,28,29,30)/t18-,19-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 5.91E+4n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548325
PNG
(WO2022093856, Example 1-21-2)
Show SMILES CNC(=O)C[C@@H](Nc1nc(nc2CCCCc12)N1CCC2(CN(C2)C(=O)C=C)C1)c1cccc(c1)C#N
Show InChI InChI=1S/C28H33N7O2/c1-3-25(37)35-17-28(18-35)11-12-34(16-28)27-32-22-10-5-4-9-21(22)26(33-27)31-23(14-24(36)30-2)20-8-6-7-19(13-20)15-29/h3,6-8,13,23H,1,4-5,9-12,14,16-18H2,2H3,(H,30,36)(H,31,32,33)/t23-/m1/s1
PDB

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WIPO WO2022093856
n/an/a 1.30E+5n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

More data for this
Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A]


(Homo sapiens (Human))
BDBM548317
PNG
(WO2022093856, Example 1-14)
Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2ncn(C)c12)N1CCC2(CN(C2)C(=O)C=C)C1
Show InChI InChI=1S/C23H34N8O2/c1-6-18(33)31-12-23(13-31)7-8-30(11-23)22-27-20-19(29(5)14-25-20)21(28-22)26-16(9-15(2)3)10-17(32)24-4/h6,14-16H,1,7-13H2,2-5H3,(H,24,32)(H,26,27,28)/t16-/m0/s1
PDB

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WIPO WO2022093856
n/an/a 1.96E+5n/an/an/an/an/an/a



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WIPO WO2022093856 (2022)

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