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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'pinder' and Initial = 'jl'   
Target/Host
(Institution)
LigandTarget/Host
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 ATR


(Homo sapiens (Human))
BDBM50341751
PNG
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)
Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of full length recombinant ATR Morrison equation analysis


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341750
PNG
(3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylp...)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c1-21(2,3)29(27,28)16-11-9-14(10-12-16)17-13-23-19(22)18(25-17)20(26)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,22,23)(H,24,26)
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n/an/a 6n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341747
PNG
(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)
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n/an/a 8n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341752
PNG
(3-amino-6-(4-((4-hydroxybutan-2-yl)sulfonyl)phenyl...)
Show SMILES CC(CCO)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O4S/c1-14(11-12-26)30(28,29)17-9-7-15(8-10-17)18-13-23-20(22)19(25-18)21(27)24-16-5-3-2-4-6-16/h2-10,13-14,26H,11-12H2,1H3,(H2,22,23)(H,24,27)
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n/an/a 8n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341749
PNG
(3-amino-6-(4-(sec-butylsulfonyl)phenyl)-N-phenylpy...)
Show SMILES CCC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c1-3-14(2)29(27,28)17-11-9-15(10-12-17)18-13-23-20(22)19(25-18)21(26)24-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H2,22,23)(H,24,26)
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n/an/a 10n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341753
PNG
((R)-3-amino-N-phenyl-6-(4-((tetrahydrofuran-3-yl)s...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC1 |r|
Show InChI InChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341746
PNG
(3-amino-6-(4-(ethylsulfonyl)phenyl)-N-phenylpyrazi...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H18N4O3S/c1-2-27(25,26)15-10-8-13(9-11-15)16-12-21-18(20)17(23-16)19(24)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341751
PNG
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)
Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50208517
PNG
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)
Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
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n/an/a 13n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341748
PNG
(3-amino-N-phenyl-6-(4-(propylsulfonyl)phenyl)pyraz...)
Show SMILES CCCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c1-2-12-28(26,27)16-10-8-14(9-11-16)17-13-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,21,22)(H,23,25)
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n/an/a 14n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341757
PNG
(3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1
Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
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n/an/a 22n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341758
PNG
(3-(1H-indol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyra...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21)
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n/an/a 23n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341719
PNG
(3-amino-6-(2-cyanophenyl)-N-phenylpyrazine-2-carbo...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1C#N
Show InChI InChI=1S/C18H13N5O/c19-10-12-6-4-5-9-14(12)15-11-21-17(20)16(23-15)18(24)22-13-7-2-1-3-8-13/h1-9,11H,(H2,20,21)(H,22,24)
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n/an/a 24n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341733
PNG
(3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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n/an/a 26n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341743
PNG
(3-amino-N-phenyl-6-(4-(piperidine-1-carbonyl)pheny...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H23N5O2/c24-21-20(22(29)26-18-7-3-1-4-8-18)27-19(15-25-21)16-9-11-17(12-10-16)23(30)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25)(H,26,29)
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n/an/a 26n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341755
PNG
(3-(1H-benzo[d]imidazol-2-yl)-5-(4-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341756
PNG
(3-(benzoxazol-2-yl)-5-(4-(methylsulfonyl)phenyl)py...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H14N4O3S/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
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n/an/a 36n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341744
PNG
(3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H18ClN5O2/c1-26(2)20(28)14-9-8-12(10-15(14)21)16-11-23-18(22)17(25-16)19(27)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,23)(H,24,27)
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n/an/a 48n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341741
PNG
(3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)
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n/an/a 54n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341742
PNG
(3-amino-N-phenyl-6-(4-(pyrrolidine-1-carbonyl)phen...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C22H21N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-11,14H,4-5,12-13H2,(H2,23,24)(H,25,28)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341745
PNG
(3-amino-6-(4-(methylsulfinyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O2S/c1-25(24)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341740
PNG
(3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1
Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341738
PNG
(3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-c...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N5O2/c19-16-15(18(25)22-13-4-2-1-3-5-13)23-14(10-21-16)11-6-8-12(9-7-11)17(20)24/h1-10H,(H2,19,21)(H2,20,24)(H,22,25)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341758
PNG
(3-(1H-indol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyra...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341720
PNG
(3-amino-6-(2-(methylsulfinyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)c1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O2S/c1-25(24)15-10-6-5-9-13(15)14-11-20-17(19)16(22-14)18(23)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341739
PNG
(3-amino-6-(4-(methylcarbamoyl)phenyl)-N-phenylpyra...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H17N5O2/c1-21-18(25)13-9-7-12(8-10-13)15-11-22-17(20)16(24-15)19(26)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,22)(H,21,25)(H,23,26)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341732
PNG
(3-amino-6-(4-cyanophenyl)-N-phenylpyrazine-2-carbo...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H13N5O/c19-10-12-6-8-13(9-7-12)15-11-21-17(20)16(23-15)18(24)22-14-4-2-1-3-5-14/h1-9,11H,(H2,20,21)(H,22,24)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341713
PNG
(3-amino-N-phenyl-6-(pyridin-3-yl)pyrazine-2-carbox...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccnc1
Show InChI InChI=1S/C16H13N5O/c17-15-14(16(22)20-12-6-2-1-3-7-12)21-13(10-19-15)11-5-4-8-18-9-11/h1-10H,(H2,17,19)(H,20,22)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50098126
PNG
(2-(morpholin-4-yl)-benzo[h]chromen-4-one | 2-Morph...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341719
PNG
(3-amino-6-(2-cyanophenyl)-N-phenylpyrazine-2-carbo...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1C#N
Show InChI InChI=1S/C18H13N5O/c19-10-12-6-4-5-9-14(12)15-11-21-17(20)16(23-15)18(24)22-13-7-2-1-3-8-13/h1-9,11H,(H2,20,21)(H,22,24)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341734
PNG
(3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-4-2-1-3-5-12)21-14(10-19-16)11-6-8-13(22)9-7-11/h1-10,22H,(H2,18,19)(H,20,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341727
PNG
(3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341755
PNG
(3-(1H-benzo[d]imidazol-2-yl)-5-(4-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341752
PNG
(3-amino-6-(4-((4-hydroxybutan-2-yl)sulfonyl)phenyl...)
Show SMILES CC(CCO)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O4S/c1-14(11-12-26)30(28,29)17-9-7-15(8-10-17)18-13-23-20(22)19(25-18)21(27)24-16-5-3-2-4-6-16/h2-10,13-14,26H,11-12H2,1H3,(H2,22,23)(H,24,27)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341726
PNG
(3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carbo...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H13N5O/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14/h1-9,11H,(H2,20,21)(H,22,24)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341751
PNG
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)
Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341753
PNG
((R)-3-amino-N-phenyl-6-(4-((tetrahydrofuran-3-yl)s...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC1 |r|
Show InChI InChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341728
PNG
(3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-6-2-1-3-7-12)21-14(10-19-16)11-5-4-8-13(22)9-11/h1-10,22H,(H2,18,19)(H,20,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341731
PNG
(3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide...)
Show SMILES Cc1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-12-6-5-7-13(10-12)15-11-20-17(19)16(22-15)18(23)21-14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341718
PNG
(3-amino-N-phenyl-6-(pyridin-4-yl)pyrazine-2-carbox...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C16H13N5O/c17-15-14(16(22)20-12-4-2-1-3-5-12)21-13(10-19-15)11-6-8-18-9-7-11/h1-10H,(H2,17,19)(H,20,22)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341724
PNG
(3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carb...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O/c18-13-9-5-4-8-12(13)14-10-20-16(19)15(22-14)17(23)21-11-6-2-1-3-7-11/h1-10H,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50341719
PNG
(3-amino-6-(2-cyanophenyl)-N-phenylpyrazine-2-carbo...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1C#N
Show InChI InChI=1S/C18H13N5O/c19-10-12-6-4-5-9-14(12)15-11-21-17(20)16(23-15)18(24)22-13-7-2-1-3-8-13/h1-9,11H,(H2,20,21)(H,22,24)
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n/an/a 720n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341757
PNG
(3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1
Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341723
PNG
(3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES COc1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O2/c1-24-15-10-6-5-9-13(15)14-11-20-17(19)16(22-14)18(23)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50341727
PNG
(3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341756
PNG
(3-(benzoxazol-2-yl)-5-(4-(methylsulfonyl)phenyl)py...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H14N4O3S/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341740
PNG
(3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1
Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341750
PNG
(3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylp...)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c1-21(2,3)29(27,28)16-11-9-14(10-12-16)17-13-23-19(22)18(25-17)20(26)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,22,23)(H,24,26)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341747
PNG
(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
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