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124 similar compounds to monomer 92240

Compile data set for download or QSAR
Wt: 447.9
BDBM35650
Wt: 461.9
BDBM35653
Wt: 475.9
BDBM35654
Wt: 479.9
BDBM35655
Wt: 496.3
BDBM35656
Wt: 500.3
BDBM35657
Purchase
Wt: 475.9
BDBM35659
Wt: 468.3
BDBM91969
Wt: 365.4
BDBM91974
Wt: 351.4
BDBM91978
Wt: 365.4
BDBM91980
Wt: 379.4
BDBM91988
Wt: 351.4
BDBM91993
Wt: 403.8
BDBM92027
Wt: 465.9
BDBM92028
Displayed 1 to 15 (of 124 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 35650,35653,35654,35655,35656,35657,35659,91969,91974,91978,91980,91988,91993,92027,92028   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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1n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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D3R
1n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35650
PNG
(pyrimidylpyrrole, 10c)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1
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<2<-12.1n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35653
PNG
(pyrimidylpyrrole, 11a)
Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-3-4-9-20(15)30-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)29-22(14-32)17-7-5-8-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,29,33)(H,28,30,31)/t22-/m1/s1
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<2<-12.1n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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<2<-12.1n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35657
PNG
(pyrimidylpyrrole, 11e)
Show SMILES Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
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<2<-12.1n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35659
PNG
(pyrimidylpyrrole, 11g)
Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN5O2/c1-3-17-7-4-5-10-21(17)31-26-29-13-16(2)24(32-26)19-12-22(28-14-19)25(34)30-23(15-33)18-8-6-9-20(27)11-18/h4-14,23,28,33H,3,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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<2<-12.1n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35653
PNG
(pyrimidylpyrrole, 11a)
Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-3-4-9-20(15)30-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)29-22(14-32)17-7-5-8-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,29,33)(H,28,30,31)/t22-/m1/s1
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<2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91974
PNG
(erk000041)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-3-21-20-23-10-13(2)18(25-20)15-9-16(22-11-15)19(27)24-17(12-26)14-7-5-4-6-8-14/h4-11,17,22,26H,3,12H2,1-2H3,(H,24,27)(H,21,23,25)/t17-/m1/s1
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D3R
3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91974
PNG
(erk000041)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-3-21-20-23-10-13(2)18(25-20)15-9-16(22-11-15)19(27)24-17(12-26)14-7-5-4-6-8-14/h4-11,17,22,26H,3,12H2,1-2H3,(H,24,27)(H,21,23,25)/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92028
PNG
(erk000397)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H21ClFN5O2/c1-14-11-28-24(29-17-5-3-2-4-6-17)31-22(14)16-10-20(27-12-16)23(33)30-21(13-32)15-7-8-19(26)18(25)9-15/h2-12,21,27,32H,13H2,1H3,(H,30,33)(H,28,29,31)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92028
PNG
(erk000397)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H21ClFN5O2/c1-14-11-28-24(29-17-5-3-2-4-6-17)31-22(14)16-10-20(27-12-16)23(33)30-21(13-32)15-7-8-19(26)18(25)9-15/h2-12,21,27,32H,13H2,1H3,(H,30,33)(H,28,29,31)/t21-/m0/s1
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D3R
4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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D3R
5n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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PubMed
5 -11.5n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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5n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35650
PNG
(pyrimidylpyrrole, 10c)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1
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19n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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D3R
33.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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34n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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34 -10.4n/an/an/an/an/a7.530



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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41n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91978
PNG
(erk000046)
Show SMILES CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-12-9-22-19(20-2)24-17(12)14-8-15(21-10-14)18(26)23-16(11-25)13-6-4-3-5-7-13/h3-10,16,21,25H,11H2,1-2H3,(H,23,26)(H,20,22,24)/t16-/m1/s1
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D3R
58.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91978
PNG
(erk000046)
Show SMILES CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-12-9-22-19(20-2)24-17(12)14-8-15(21-10-14)18(26)23-16(11-25)13-6-4-3-5-7-13/h3-10,16,21,25H,11H2,1-2H3,(H,23,26)(H,20,22,24)/t16-/m1/s1
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59n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92027
PNG
(erk000396)
Show SMILES CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClFN5O2/c1-10-7-24-19(22-2)26-17(10)12-6-15(23-8-12)18(28)25-16(9-27)11-3-4-14(21)13(20)5-11/h3-8,16,23,27H,9H2,1-2H3,(H,25,28)(H,22,24,26)/t16-/m0/s1
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D3R
67.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92027
PNG
(erk000396)
Show SMILES CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClFN5O2/c1-10-7-24-19(22-2)26-17(10)12-6-15(23-8-12)18(28)25-16(9-27)11-3-4-14(21)13(20)5-11/h3-8,16,23,27H,9H2,1-2H3,(H,25,28)(H,22,24,26)/t16-/m0/s1
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68n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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76n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91993
PNG
(erk000068)
Show SMILES CCNc1nccc(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-2-20-19-21-9-8-15(24-19)14-10-16(22-11-14)18(26)23-17(12-25)13-6-4-3-5-7-13/h3-11,17,22,25H,2,12H2,1H3,(H,23,26)(H,20,21,24)/t17-/m1/s1
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D3R
100n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91993
PNG
(erk000068)
Show SMILES CCNc1nccc(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-2-20-19-21-9-8-15(24-19)14-10-16(22-11-14)18(26)23-17(12-25)13-6-4-3-5-7-13/h3-11,17,22,25H,2,12H2,1H3,(H,23,26)(H,20,21,24)/t17-/m1/s1
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100n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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110n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91988
PNG
(erk000060)
Show SMILES CCNc1ncc(CC)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O2/c1-3-14-11-24-21(22-4-2)26-19(14)16-10-17(23-12-16)20(28)25-18(13-27)15-8-6-5-7-9-15/h5-12,18,23,27H,3-4,13H2,1-2H3,(H,25,28)(H,22,24,26)/t18-/m1/s1
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120n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91988
PNG
(erk000060)
Show SMILES CCNc1ncc(CC)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O2/c1-3-14-11-24-21(22-4-2)26-19(14)16-10-17(23-12-16)20(28)25-18(13-27)15-8-6-5-7-9-15/h5-12,18,23,27H,3-4,13H2,1-2H3,(H,25,28)(H,22,24,26)/t18-/m1/s1
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D3R
120n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35650
PNG
(pyrimidylpyrrole, 10c)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35659
PNG
(pyrimidylpyrrole, 11g)
Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN5O2/c1-3-17-7-4-5-10-21(17)31-26-29-13-16(2)24(32-26)19-12-22(28-14-19)25(34)30-23(15-33)18-8-6-9-20(27)11-18/h4-14,23,28,33H,3,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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150n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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150n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91969
PNG
(erk000031)
Show SMILES Nc1ncc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-16-6-14(7-17(25)9-16)18-11-28-23(26)30-21(18)15-8-19(27-10-15)22(32)29-20(12-31)13-4-2-1-3-5-13/h1-11,20,27,31H,12H2,(H,29,32)(H2,26,28,30)/t20-/m1/s1
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229n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91969
PNG
(erk000031)
Show SMILES Nc1ncc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-16-6-14(7-17(25)9-16)18-11-28-23(26)30-21(18)15-8-19(27-10-15)22(32)29-20(12-31)13-4-2-1-3-5-13/h1-11,20,27,31H,12H2,(H,29,32)(H2,26,28,30)/t20-/m1/s1
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D3R
229n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35650
PNG
(pyrimidylpyrrole, 10c)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1
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290n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35657
PNG
(pyrimidylpyrrole, 11e)
Show SMILES Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
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395n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35653
PNG
(pyrimidylpyrrole, 11a)
Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-3-4-9-20(15)30-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)29-22(14-32)17-7-5-8-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,29,33)(H,28,30,31)/t22-/m1/s1
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35659
PNG
(pyrimidylpyrrole, 11g)
Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN5O2/c1-3-17-7-4-5-10-21(17)31-26-29-13-16(2)24(32-26)19-12-22(28-14-19)25(34)30-23(15-33)18-8-6-9-20(27)11-18/h4-14,23,28,33H,3,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35654
PNG
(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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440n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35657
PNG
(pyrimidylpyrrole, 11e)
Show SMILES Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
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540n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM35659
PNG
(pyrimidylpyrrole, 11g)
Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C26H26ClN5O2/c1-3-17-7-4-5-10-21(17)31-26-29-13-16(2)24(32-26)19-12-22(28-14-19)25(34)30-23(15-33)18-8-6-9-20(27)11-18/h4-14,23,28,33H,3,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
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720n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35657
PNG
(pyrimidylpyrrole, 11e)
Show SMILES Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
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852n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35656
PNG
(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35655
PNG
(erk000598 | pyrimidylpyrrole, 11c)
Show SMILES Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClFN5O2/c1-14-11-29-25(31-20-8-4-7-19(27)15(20)2)32-23(14)17-10-21(28-12-17)24(34)30-22(13-33)16-5-3-6-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...


J Med Chem 52: 6362-8 (2009)


Article DOI: 10.1021/jm900630q
BindingDB Entry DOI: 10.7270/Q2D798SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91980
PNG
(erk000048)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-3-21-20-23-10-13(2)18(25-20)15-9-16(22-11-15)19(27)24-17(12-26)14-7-5-4-6-8-14/h4-11,17,22,26H,3,12H2,1-2H3,(H,24,27)(H,21,23,25)/t17-/m0/s1
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PubMed
1.29E+4n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91980
PNG
(erk000048)
Show SMILES CCNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-3-21-20-23-10-13(2)18(25-20)15-9-16(22-11-15)19(27)24-17(12-26)14-7-5-4-6-8-14/h4-11,17,22,26H,3,12H2,1-2H3,(H,24,27)(H,21,23,25)/t17-/m0/s1
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D3R
1.29E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair