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Compile Data Set for Download or QSAR

Found 234 hits of ic50 for UniProtKB: P60891   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493323
PNG
(US10981917, Example 24)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(cc12)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H24FN3O/c22-17-5-1-4-15(12-17)16-8-9-18-20(13-16)25(14-24-18)11-3-6-19-21(26)7-2-10-23-19/h1,4-5,8-9,12-14,19,21,23,26H,2-3,6-7,10-11H2/t19-,21+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493486
PNG
(US10981917, Example 187)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2c(Cl)c(Br)cnc12 |r|
Show InChI InChI=1S/C14H16BrClN4O/c15-9-7-18-14-13(12(9)16)19-8-20(14)6-2-3-10-11(21)4-1-5-17-10/h2-3,7-8,10-11,17,21H,1,4-6H2/b3-2+/t10-,11+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493339
PNG
(US10981917, Example 40 | US10981917, Example 43)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2c(Cl)c(Cl)ccc12 |r|
Show InChI InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493345
PNG
(US10981917, Example 46)
Show SMILES Cc1c(Cl)ccc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H22ClN3O/c1-11-12(17)6-7-14-16(11)19-10-20(14)9-3-4-13-15(21)5-2-8-18-13/h6-7,10,13,15,18,21H,2-5,8-9H2,1H3/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493357
PNG
(US10981917, Example 58)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(F)cc(F)c12 |r|
Show InChI InChI=1S/C15H19F2N3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h7-9,12,14,18,21H,1-6H2/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493360
PNG
(US10981917, Example 61)
Show SMILES Cc1cc(Cl)cc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H22ClN3O/c1-11-8-12(17)9-14-16(11)19-10-20(14)7-3-4-13-15(21)5-2-6-18-13/h8-10,13,15,18,21H,2-7H2,1H3/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493362
PNG
(US10981917, Example 63)
Show SMILES Cc1cc(Br)cc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H22BrN3O/c1-11-8-12(17)9-14-16(11)19-10-20(14)7-3-4-13-15(21)5-2-6-18-13/h8-10,13,15,18,21H,2-7H2,1H3/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493363
PNG
(US10981917, Example 64)
Show SMILES Cc1c(F)ccc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H22FN3O/c1-11-12(17)6-7-14-16(11)19-10-20(14)9-3-4-13-15(21)5-2-8-18-13/h6-7,10,13,15,18,21H,2-5,8-9H2,1H3/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493366
PNG
(US10981917, Example 67)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(c(Cl)c12)C(F)(F)F |r|
Show InChI InChI=1S/C16H19ClF3N3O/c17-14-10(16(18,19)20)5-6-12-15(14)23(9-22-12)8-2-3-11-13(24)4-1-7-21-11/h5-6,9,11,13,21,24H,1-4,7-8H2/t11-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493368
PNG
(US10981917, Example 69)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(Br)c12 |r|
Show InChI InChI=1S/C15H19BrClN3O/c16-11-7-10(17)8-13-15(11)20(9-19-13)6-2-3-12-14(21)4-1-5-18-12/h7-9,12,14,18,21H,1-6H2/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493369
PNG
(US10981917, Example 70)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Br)cc(Cl)c12 |r|
Show InChI InChI=1S/C15H19BrClN3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h7-9,12,14,18,21H,1-6H2/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493378
PNG
(US10981917, Example 79)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(F)c12 |r|
Show InChI InChI=1S/C15H19ClFN3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h7-9,12,14,18,21H,1-6H2/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493379
PNG
(US10981917, Example 80)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(Cl)c12 |r|
Show InChI InChI=1S/C15H19Cl2N3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h7-9,12,14,18,21H,1-6H2/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493382
PNG
(US10981917, Example 83)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cccc(F)c3)c12 |r|
Show InChI InChI=1S/C21H23ClFN3O/c22-15-11-17(14-4-1-5-16(23)10-14)21-19(12-15)25-13-26(21)9-3-6-18-20(27)7-2-8-24-18/h1,4-5,10-13,18,20,24,27H,2-3,6-9H2/t18-,20+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493388
PNG
(US10981917, Example 89)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cnn(c3)C(F)F)c12 |r|
Show InChI InChI=1S/C19H22ClF2N5O/c20-13-7-14(12-9-25-27(10-12)19(21)22)18-16(8-13)24-11-26(18)6-2-3-15-17(28)4-1-5-23-15/h7-11,15,17,19,23,28H,1-6H2/t15-,17+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493390
PNG
(US10981917, Example 91)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3ccsc3)c12 |r|
Show InChI InChI=1S/C19H22ClN3OS/c20-14-9-15(13-5-8-25-11-13)19-17(10-14)22-12-23(19)7-2-3-16-18(24)4-1-6-21-16/h5,8-12,16,18,21,24H,1-4,6-7H2/t16-,18+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493396
PNG
(US10981917, Example 97)
Show SMILES Cn1cc(cn1)-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12 |r|
Show InChI InChI=1S/C19H24ClN5O/c1-24-11-13(10-23-24)15-8-14(20)9-17-19(15)25(12-22-17)7-3-4-16-18(26)5-2-6-21-16/h8-12,16,18,21,26H,2-7H2,1H3/t16-,18+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493398
PNG
(US10981917, Example 99)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(N3CCCC3)c12 |r|
Show InChI InChI=1S/C19H27ClN4O/c20-14-11-16-19(17(12-14)23-8-1-2-9-23)24(13-22-16)10-4-5-15-18(25)6-3-7-21-15/h11-13,15,18,21,25H,1-10H2/t15-,18+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493400
PNG
(US10981917, Example 101)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cnn(c3)-c3nccs3)c12 |r|
Show InChI InChI=1S/C21H23ClN6OS/c22-15-9-16(14-11-26-28(12-14)21-24-6-8-30-21)20-18(10-15)25-13-27(20)7-2-3-17-19(29)4-1-5-23-17/h6,8-13,17,19,23,29H,1-5,7H2/t17-,19+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493403
PNG
(US10981917, Example 104)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3ccoc3)c12 |r|
Show InChI InChI=1S/C19H22ClN3O2/c20-14-9-15(13-5-8-25-11-13)19-17(10-14)22-12-23(19)7-2-3-16-18(24)4-1-6-21-16/h5,8-12,16,18,21,24H,1-4,6-7H2/t16-,18+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493408
PNG
(US10981917, Example 109)
Show SMILES Cc1cscc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12 |r|
Show InChI InChI=1S/C20H24ClN3OS/c1-13-10-26-11-16(13)15-8-14(21)9-18-20(15)24(12-23-18)7-3-4-17-19(25)5-2-6-22-17/h8-12,17,19,22,25H,2-7H2,1H3/t17-,19+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493410
PNG
(US10981917, Example 111)
Show SMILES COC(=O)c1cc(cs1)-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12 |r|
Show InChI InChI=1S/C21H24ClN3O3S/c1-28-21(27)19-8-13(11-29-19)15-9-14(22)10-17-20(15)25(12-24-17)7-3-4-16-18(26)5-2-6-23-16/h8-12,16,18,23,26H,2-7H2,1H3/t16-,18+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493415
PNG
(US10981917, Example 116)
Show SMILES CCOC(=O)c1cc(cn1C)-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12 |r|
Show InChI InChI=1S/C23H29ClN4O3/c1-3-31-23(30)20-10-15(13-27(20)2)17-11-16(24)12-19-22(17)28(14-26-19)9-5-6-18-21(29)7-4-8-25-18/h10-14,18,21,25,29H,3-9H2,1-2H3/t18-,21+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493473
PNG
(US10981917, Example 174)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2c(Cl)c(Cl)ccc12 |r|
Show InChI InChI=1S/C15H17Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h2-3,5-6,9,11,13,18,21H,1,4,7-8H2/b3-2+/t11-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493481
PNG
(US10981917, Example 182)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2cc(Cl)cc(Cl)c12 |r|
Show InChI InChI=1S/C15H17Cl2N3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h2-3,7-9,12,14,18,21H,1,4-6H2/b3-2+/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493339
PNG
(US10981917, Example 40 | US10981917, Example 43)
Show SMILES O[C@H]1CCCN[C@@H]1CCCn1cnc2c(Cl)c(Cl)ccc12 |r|
Show InChI InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493430
PNG
(US10981917, Example 131)
Show SMILES Cc1c(Cl)cnc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C15H21ClN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h8-9,12-13,17,21H,2-7H2,1H3/t12-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493431
PNG
(US10981917, Example 132)
Show SMILES Cc1c(Br)cnc2n(CCC[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C15H21BrN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h8-9,12-13,17,21H,2-7H2,1H3/t12-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493447
PNG
(US10981917, Example 148)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1CCC[C@H]1NCCC[C@@H]1O |r|
Show InChI InChI=1S/C15H20Cl2N4O/c16-9-7-12-13(8-10(9)17)21(15(18)20-12)6-2-3-11-14(22)4-1-5-19-11/h7-8,11,14,19,22H,1-6H2,(H2,18,20)/t11-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493448
PNG
(US10981917, Example 149)
Show SMILES COC(=O)c1cn(CCC[C@H]2NCCC[C@@H]2O)c2c(Br)cccc12 |r|
Show InChI InChI=1S/C18H23BrN2O3/c1-24-18(23)13-11-21(17-12(13)5-2-6-14(17)19)10-4-7-15-16(22)8-3-9-20-15/h2,5-6,11,15-16,20,22H,3-4,7-10H2,1H3/t15-,16+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493450
PNG
(US10981917, Example 151)
Show SMILES COC(=O)c1cn(CCC[C@H]2NCCC[C@@H]2O)c2cc(Br)ccc12 |r|
Show InChI InChI=1S/C18H23BrN2O3/c1-24-18(23)14-11-21(16-10-12(19)6-7-13(14)16)9-3-4-15-17(22)5-2-8-20-15/h6-7,10-11,15,17,20,22H,2-5,8-9H2,1H3/t15-,17+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493452
PNG
(US10981917, Example 153)
Show SMILES COC(=O)c1cn(CCC[C@H]2NCCC[C@@H]2O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C18H23ClN2O3/c1-24-18(23)14-11-21(16-10-12(19)6-7-13(14)16)9-3-4-15-17(22)5-2-8-20-15/h6-7,10-11,15,17,20,22H,2-5,8-9H2,1H3/t15-,17+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493453
PNG
(US10981917, Example 154)
Show SMILES COC(=O)c1cn(CCC[C@H]2NCCC[C@@H]2O)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C18H23ClN2O3/c1-24-18(23)13-11-21(17-12(13)5-2-6-14(17)19)10-4-7-15-16(22)8-3-9-20-15/h2,5-6,11,15-16,20,22H,3-4,7-10H2,1H3/t15-,16+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493465
PNG
(US10981917, Example 166)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C15H17Cl2N3O/c16-10-7-13-14(8-11(10)17)20(9-19-13)6-2-3-12-15(21)4-1-5-18-12/h2-3,7-9,12,15,18,21H,1,4-6H2/b3-2+/t12-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493466
PNG
(US10981917, Example 167)
Show SMILES Cc1c(F)ccc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H20FN3O/c1-11-12(17)6-7-14-16(11)19-10-20(14)9-3-4-13-15(21)5-2-8-18-13/h3-4,6-7,10,13,15,18,21H,2,5,8-9H2,1H3/b4-3+/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493467
PNG
(US10981917, Example 168)
Show SMILES Cc1c(Br)ccc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H20BrN3O/c1-11-12(17)6-7-14-16(11)19-10-20(14)9-3-4-13-15(21)5-2-8-18-13/h3-4,6-7,10,13,15,18,21H,2,5,8-9H2,1H3/b4-3+/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493469
PNG
(US10981917, Example 170)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2cc(Br)c(Br)cc12 |r|
Show InChI InChI=1S/C15H17Br2N3O/c16-10-7-13-14(8-11(10)17)20(9-19-13)6-2-3-12-15(21)4-1-5-18-12/h2-3,7-9,12,15,18,21H,1,4-6H2/b3-2+/t12-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493472
PNG
(US10981917, Example 173)
Show SMILES Cc1c(Cl)ccc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H20ClN3O/c1-11-12(17)6-7-14-16(11)19-10-20(14)9-3-4-13-15(21)5-2-8-18-13/h3-4,6-7,10,13,15,18,21H,2,5,8-9H2,1H3/b4-3+/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493474
PNG
(US10981917, Example 175)
Show SMILES Cc1ccc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc2c1Cl |r|
Show InChI InChI=1S/C16H20ClN3O/c1-11-6-7-13-16(15(11)17)19-10-20(13)9-3-4-12-14(21)5-2-8-18-12/h3-4,6-7,10,12,14,18,21H,2,5,8-9H2,1H3/b4-3+/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493477
PNG
(US10981917, Example 178)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2c(Cl)c(ccc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H17ClN4O3/c16-14-11(20(22)23)5-6-12-15(14)18-9-19(12)8-2-3-10-13(21)4-1-7-17-10/h2-3,5-6,9-10,13,17,21H,1,4,7-8H2/b3-2+/t10-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493478
PNG
(US10981917, Example 179)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2c(F)cc(F)cc12 |r|
Show InChI InChI=1S/C15H17F2N3O/c16-10-7-11(17)15-13(8-10)20(9-19-15)6-2-3-12-14(21)4-1-5-18-12/h2-3,7-9,12,14,18,21H,1,4-6H2/b3-2+/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493479
PNG
(US10981917, Example 180)
Show SMILES Cc1cc(Cl)cc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C16H20ClN3O/c1-11-8-12(17)9-14-16(11)19-10-20(14)7-3-4-13-15(21)5-2-6-18-13/h3-4,8-10,13,15,18,21H,2,5-7H2,1H3/b4-3+/t13-,15+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493480
PNG
(US10981917, Example 181)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2cc(cc(Cl)c12)C(F)(F)F |r|
Show InChI InChI=1S/C16H17ClF3N3O/c17-11-7-10(16(18,19)20)8-13-15(11)23(9-22-13)6-2-3-12-14(24)4-1-5-21-12/h2-3,7-9,12,14,21,24H,1,4-6H2/b3-2+/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493482
PNG
(US10981917, Example 183)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2cc(Cl)cc(F)c12 |r|
Show InChI InChI=1S/C15H17ClFN3O/c16-10-7-11(17)15-13(8-10)19-9-20(15)6-2-3-12-14(21)4-1-5-18-12/h2-3,7-9,12,14,18,21H,1,4-6H2/b3-2+/t12-,14+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493485
PNG
(US10981917, Example 186)
Show SMILES Cc1c(Br)cnc2n(C\C=C\[C@H]3NCCC[C@@H]3O)cnc12 |r|
Show InChI InChI=1S/C15H19BrN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h3-4,8-9,12-13,17,21H,2,5-7H2,1H3/b4-3+/t12-,13+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493488
PNG
(US10981917, Example 189)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2c(Cl)c(Cl)cnc12 |r|
Show InChI InChI=1S/C14H16Cl2N4O/c15-9-7-18-14-13(12(9)16)19-8-20(14)6-2-3-10-11(21)4-1-5-17-10/h2-3,7-8,10-11,17,21H,1,4-6H2/b3-2+/t10-,11+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493489
PNG
(US10981917, Example 190)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2ccc(cc12)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O/c22-17-5-1-4-15(12-17)16-8-9-18-20(13-16)25(14-24-18)11-3-6-19-21(26)7-2-10-23-19/h1,3-6,8-9,12-14,19,21,23,26H,2,7,10-11H2/b6-3+/t19-,21+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493490
PNG
(US10981917, Example 191)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2ccc(cc12)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H22FN3O/c22-17-5-1-4-15(12-17)16-8-9-18-20(13-16)25(14-24-18)11-3-6-19-21(26)7-2-10-23-19/h1,3-6,8-9,12-14,19,21,23,26H,2,7,10-11H2/b6-3+/t19-,21+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493491
PNG
(US10981917, Example 192)
Show SMILES O[C@H]1CCCN[C@@H]1\C=C\Cn1cnc2ccc(cc12)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N3O/c23-22(24,25)17-5-1-4-15(12-17)16-8-9-18-20(13-16)28(14-27-18)11-3-6-19-21(29)7-2-10-26-19/h1,3-6,8-9,12-14,19,21,26,29H,2,7,10-11H2/b6-3+/t19-,21+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM493501
PNG
(US10981917, Example 202)
Show SMILES COC(=O)c1cn(C\C=C\[C@H]2NCCC[C@@H]2O)c2c(Br)cccc12 |r|
Show InChI InChI=1S/C18H21BrN2O3/c1-24-18(23)13-11-21(17-12(13)5-2-6-14(17)19)10-4-7-15-16(22)8-3-9-20-15/h2,4-7,11,15-16,20,22H,3,8-10H2,1H3/b7-4+/t15-,16+/m1/s1
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Daewoong Pharmaceutical Co., Ltd.

US Patent


Assay Description
In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyropho...


US Patent US10981917 (2021)


BindingDB Entry DOI: 10.7270/Q2VH5RZ3
More data for this
Ligand-Target Pair
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