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Compile Data Set for Download or QSAR

Found 120 hits of ic50 data for polymerid = 50002986   
Target
(Institution)
LigandTarget
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
Serine-protein kinase ATM


(Homo sapiens)
BDBM50059640
PNG
(CHEMBL2140173)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1
Show InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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n/an/a 6n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human glioma cells


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50044977
PNG
(CHEMBL3334621)
Show SMILES CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
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n/an/a>36n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 120n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1/C21H21N5O2S/c1-14-12-26-20(13-25(14)19-8-10-23-21-17(19)7-9-22-21)18(11-24-26)15-3-5-16(6-4-15)29(2,27)28/h3-11,14H,12-13H2,1-2H3,(H,22,23)/t14-/s2
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53-Q10-K17 peptide substrate by alphascreen assay


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50324675
PNG
(2,2-diphenyl-N-(2,2,2-trichloro-1-(3-(4-fluoro-3-n...)
Show SMILES [O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F
Show InChI InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
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n/an/a 200n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ataxia telangiectasia-mutated


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of ATM


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50398033
PNG
(CHEMBL2181114)
Show SMILES CCOC(=O)C1(COC(=O)C1=C)C(=O)OCC
Show InChI InChI=1S/C11H14O6/c1-4-15-9(13)11(10(14)16-5-2)6-17-8(12)7(11)3/h3-6H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 320n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 380n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50398034
PNG
(CHEMBL2181113)
Show SMILES C=C1[C@H](COC1=O)C(=O)N1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C17H14N2O3/c1-10-13(9-22-17(10)21)16(20)19-7-12-6-11-4-2-3-5-14(11)18-15(12)8-19/h2-6,13H,1,7-9H2/t13-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 720n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 840n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a 2.60E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a 2.90E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a 3.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50208528
PNG
(2-dibenzofuran-4-yl-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES O=c1cc(oc(c1)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C21H17NO4/c23-14-12-19(25-20(13-14)22-8-10-24-11-9-22)17-6-3-5-16-15-4-1-2-7-18(15)26-21(16)17/h1-7,12-13H,8-11H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50208543
PNG
(6-(4-benzo[b]thiophen-3-ylphenyl)-2-morpholin-4-yl...)
Show SMILES O=c1cc(oc(c1)-c1csc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-12-9-15(14-11-22-16-4-2-1-3-13(14)16)21-17(10-12)18-5-7-20-8-6-18/h1-4,9-11H,5-8H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12
Show InChI InChI=1/C20H25ClN6O2S/c1-13-11-27-18(12-26(13)17-9-19(21)24-20-15(17)3-6-22-20)16(10-23-27)14-4-7-25(8-5-14)30(2,28)29/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H,22,24)/t13-/s2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53-Q10-K17 peptide substrate by alphascreen assay


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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
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 5.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 5.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a 5.80E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 6.60E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a 6.60E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341735
PNG
(3-amino-6-(4-methoxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O2/c1-24-14-9-7-12(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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341736
PNG
(3-amino-6-(4-chlorophenyl)-N-phenylpyrazine-2-carb...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClN4O/c18-12-8-6-11(7-9-12)14-10-20-16(19)15(22-14)17(23)21-13-4-2-1-3-5-13/h1-10H,(H2,19,20)(H,21,23)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341737
PNG
(3-amino-N-phenyl-6-(p-tolyl)pyrazine-2-carboxamide...)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-12-7-9-13(10-8-12)15-11-20-17(19)16(22-15)18(23)21-14-5-3-2-4-6-14/h2-11H,1H3,(H2,19,20)(H,21,23)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341721
PNG
(3-amino-6-(2-(methylsulfonyl)phenyl)-N-phenylpyraz...)
Show SMILES CS(=O)(=O)c1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 ATM after 24 hrs by radiometric phosphate incorporation assay


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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 full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341754
PNG
(3-amino-N-cyclohexyl-6-(4-(methylsulfonyl)phenyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H22N4O3S/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/h7-11,13H,2-6H2,1H3,(H2,19,20)(H,21,23)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
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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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341717
PNG
(3-Amino-6-(cyclohex-1-en-1-yl)-N-phenylpyrazine-2-...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C17H18N4O/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/h2,5-7,9-11H,1,3-4,8H2,(H2,18,19)(H,20,22)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341716
PNG
(3-Amino-6-cyclohexyl-N-phenylpyrazine-2-carboxamid...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C17H20N4O/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/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19)(H,20,22)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens)
BDBM50341715
PNG
(3-Amino-6-bromo-N-phenylpyrazine-2-carboxamide | C...)
Show SMILES Nc1ncc(Br)nc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C11H9BrN4O/c12-8-6-14-10(13)9(16-8)11(17)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14)(H,15,17)
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n/an/a>8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
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