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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase SMG1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394179
PNG
(CHEMBL2158865)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C25H24ClN7O3S/c1-27-25(34)31-18-6-4-16(5-7-18)22-14-17(10-12-28-22)21-11-13-29-24(32-21)30-19-8-9-20(26)23(15-19)37(35,36)33(2)3/h4-15H,1-3H3,(H2,27,31,34)(H,29,30,32)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394175
PNG
(CHEMBL2158858)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C23H21N7O3S/c1-25-23(31)29-17-7-5-15(6-8-17)21-13-16(9-11-26-21)20-10-12-27-22(30-20)28-18-3-2-4-19(14-18)34(24,32)33/h2-14H,1H3,(H2,24,32,33)(H2,25,29,31)(H,27,28,30)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394185
PNG
(CHEMBL2158864)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394177
PNG
(CHEMBL2158862)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C25H25N7O3S/c1-16-4-7-20(15-23(16)36(34,35)27-3)30-24-29-13-11-21(32-24)18-10-12-28-22(14-18)17-5-8-19(9-6-17)31-25(33)26-2/h4-15,27H,1-3H3,(H2,26,31,33)(H,29,30,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394176
PNG
(CHEMBL2158861)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C26H27N7O3S/c1-17-5-8-21(16-24(17)37(35,36)33(3)4)30-25-29-14-12-22(32-25)19-11-13-28-23(15-19)18-6-9-20(10-7-18)31-26(34)27-2/h5-16H,1-4H3,(H2,27,31,34)(H,29,30,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394184
PNG
(CHEMBL2158860)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C24H23N7O3S/c1-15-3-6-19(14-22(15)35(25,33)34)29-23-28-12-10-20(31-23)17-9-11-27-21(13-17)16-4-7-18(8-5-16)30-24(32)26-2/h3-14H,1-2H3,(H2,25,33,34)(H2,26,30,32)(H,28,29,31)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394166
PNG
(CHEMBL2158859)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C24H23N7O3S/c1-25-24(32)30-18-8-6-16(7-9-18)22-14-17(10-12-27-22)21-11-13-28-23(31-21)29-19-4-3-5-20(15-19)35(33,34)26-2/h3-15,26H,1-2H3,(H2,25,30,32)(H,28,29,31)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394165
PNG
(CHEMBL2158866)
Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1Cl
Show InChI InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394164
PNG
(CHEMBL2158011)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1
Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394174
PNG
(CHEMBL2158863)
Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C
Show InChI InChI=1S/C28H31N7O3S/c1-5-35(6-2)39(37,38)26-18-23(10-7-19(26)3)32-27-31-16-14-24(34-27)21-13-15-30-25(17-21)20-8-11-22(12-9-20)33-28(36)29-4/h7-18H,5-6H2,1-4H3,(H2,29,33,36)(H,31,32,34)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394186
PNG
(CHEMBL2158853)
Show SMILES CCN(CC)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H22N6O2S/c1-3-25(4-2)18-12-14(8-10-21-18)17-9-11-22-19(24-17)23-15-6-5-7-16(13-15)28(20,26)27/h5-13H,3-4H2,1-2H3,(H2,20,26,27)(H,22,23,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394181
PNG
(CHEMBL2158857)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCCCC2)c1
Show InChI InChI=1S/C20H22N6O2S/c21-29(27,28)17-6-4-5-16(14-17)24-20-23-10-8-18(25-20)15-7-9-22-19(13-15)26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12H2,(H2,21,27,28)(H,23,24,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394180
PNG
(CHEMBL2158855)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1
Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394178
PNG
(CHEMBL2158845)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-2-15(13-16)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-28-11-9-25/h1-7,12-13H,8-11H2,(H2,20,26,27)(H,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394183
PNG
(CHEMBL2158843)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1
Show InChI InChI=1S/C18H20N6O3S/c19-28(26,27)15-4-1-3-14(12-15)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H2,19,26,27)(H,22,23,24)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394182
PNG
(CHEMBL2158854)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1
Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-16-4-5-17(27)13-30-12-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394169
PNG
(CHEMBL2158851)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C20H18N6O/c21-14-15-2-1-3-17(12-15)24-20-23-7-5-18(25-20)16-4-6-22-19(13-16)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,23,24,25)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM65549
PNG
(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Show SMILES OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394189
PNG
(CHEMBL2158849)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C20H18F3N5O/c21-20(22,23)15-2-1-3-16(13-15)26-19-25-7-5-17(27-19)14-4-6-24-18(12-14)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H,25,26,27)
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394173
PNG
(CHEMBL2158844)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C19H18ClN5O/c20-15-2-1-3-16(13-15)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-26-11-9-25/h1-7,12-13H,8-11H2,(H,22,23,24)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394188
PNG
(CHEMBL2158856)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H23N7O2S/c1-26-9-11-27(12-10-26)19-13-15(5-7-22-19)18-6-8-23-20(25-18)24-16-3-2-4-17(14-16)30(21,28)29/h2-8,13-14H,9-12H2,1H3,(H2,21,28,29)(H,23,24,25)
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394170
PNG
(CHEMBL2158848)
Show SMILES Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C20H21N5O/c1-15-3-2-4-17(13-15)23-20-22-8-6-18(24-20)16-5-7-21-19(14-16)25-9-11-26-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,22,23,24)
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394171
PNG
(CHEMBL2158847)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-15(2-4-16)23-19-22-8-6-17(24-19)14-5-7-21-18(13-14)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H2,20,26,27)(H,22,23,24)
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n/an/a 370n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394167
PNG
(CHEMBL2158842)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)
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n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394172
PNG
(CHEMBL2158846)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H18ClN5O/c20-15-1-3-16(4-2-15)23-19-22-8-6-17(24-19)14-5-7-21-18(13-14)25-9-11-26-12-10-25/h1-8,13H,9-12H2,(H,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394187
PNG
(CHEMBL2158850)
Show SMILES COc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C20H21N5O2/c1-26-17-4-2-3-16(14-17)23-20-22-8-6-18(24-20)15-5-7-21-19(13-15)25-9-11-27-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,22,23,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens)
BDBM50394168
PNG
(CHEMBL2158852)
Show SMILES C1CN(CCO1)c1cc(ccn1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H19N5O/c1-2-4-16(5-3-1)22-19-21-9-7-17(23-19)15-6-8-20-18(14-15)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Citation and Details
More data for this
Ligand-Target Pair