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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'taricani' and Initial = 'l'   
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))
BDBM50043407
PNG
(CHEMBL3355476)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r|
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n/an/a 0.100n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043409
PNG
(CHEMBL3355474)
Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043408
PNG
(CHEMBL3355475)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043411
PNG
(CHEMBL3355480)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043384
PNG
(CHEMBL3355071)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C |r|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043382
PNG
(CHEMBL3355069)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23)
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043410
PNG
(CHEMBL3355473)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cccc2[nH]ccc12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043383
PNG
(CHEMBL3355070)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043386
PNG
(CHEMBL3355073)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043389
PNG
(CHEMBL3352844)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]cnc12 |r|
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043403
PNG
(CHEMBL3355472)
Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)13-25-12-22-19-18(25)11-17(23-20(19)24-7-9-28-10-8-24)14-3-2-4-16-15(14)5-6-21-16/h2-6,11-12,21H,7-10,13H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043413
PNG
(CHEMBL3355478)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50043381
PNG
(CHEMBL3355068)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1
Show InChI InChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043404
PNG
(CHEMBL3352848)
Show SMILES C(C1CC1)n1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H23N5O/c1-2-16(17-6-7-23-18(17)3-1)19-12-20-21(24-14-27(20)13-15-4-5-15)22(25-19)26-8-10-28-11-9-26/h1-3,6-7,12,14-15,23H,4-5,8-11,13H2
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043381
PNG
(CHEMBL3355068)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1
Show InChI InChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26)
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043388
PNG
(CHEMBL3355075)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ncc12 |r|
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n/an/a 29n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043414
PNG
(CHEMBL3355477)
Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1C2CCC1COC2
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043415
PNG
(CHEMBL3355471)
Show SMILES O=C(NC1CC1)c1cn2c(nc(cc2n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H22N6O2/c29-21(24-14-4-5-14)19-13-28-20(25-19)12-18(26-22(28)27-8-10-30-11-9-27)15-2-1-3-17-16(15)6-7-23-17/h1-3,6-7,12-14,23H,4-5,8-11H2,(H,24,29)
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50043382
PNG
(CHEMBL3355069)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043401
PNG
(CHEMBL3355079)
Show SMILES C[C@@H]1Cc2ncn(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
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n/an/a 41n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043382
PNG
(CHEMBL3355069)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23)
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043402
PNG
(CHEMBL3355080)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2C(=O)N1c1ccnc2[nH]ccc12 |r|
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n/an/a 64n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043409
PNG
(CHEMBL3355474)
Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043408
PNG
(CHEMBL3355475)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r|
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n/an/a 84n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043405
PNG
(CHEMBL3355470)
Show SMILES C[C@@H]1COCCN1c1nc(cc2nccn12)-c1cccc2[nH]ccc12 |r|
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n/an/a 95n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043406
PNG
(CHEMBL3355469)
Show SMILES C1CN(CCO1)c1nc(cc2nccn12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C18H17N5O/c1-2-13(14-4-5-19-15(14)3-1)16-12-17-20-6-7-23(17)18(21-16)22-8-10-24-11-9-22/h1-7,12,19H,8-11H2
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n/an/a 96n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043407
PNG
(CHEMBL3355476)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r|
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n/an/a 96n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043384
PNG
(CHEMBL3355071)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C |r|
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n/an/a 123n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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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


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043386
PNG
(CHEMBL3355073)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043412
PNG
(CHEMBL3355479)
Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cnc(N)nc1)N1C2CCC1COC2
Show InChI InChI=1S/C18H21N7O3S/c1-29(26,27)10-24-9-22-16-15(24)4-14(11-5-20-18(19)21-6-11)23-17(16)25-12-2-3-13(25)8-28-7-12/h4-6,9,12-13H,2-3,7-8,10H2,1H3,(H2,19,20,21)
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50043383
PNG
(CHEMBL3355070)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)
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n/an/a 327n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043390
PNG
(CHEMBL3355076)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc(N)c1 |r|
Show InChI InChI=1S/C18H26N6O2S/c1-13-11-24-17(12-23(13)15-3-6-20-18(19)9-15)16(10-21-24)14-4-7-22(8-5-14)27(2,25)26/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H2,19,20)/t13-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50043383
PNG
(CHEMBL3355070)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated whole cell electrophysiology


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043392
PNG
(CHEMBL3355078)
Show SMILES C[C@@H]1[C@@H](C)n2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C21H28N6O2S/c1-14-15(2)27-20(13-26(14)19-5-9-23-21-17(19)4-8-22-21)18(12-24-27)16-6-10-25(11-7-16)30(3,28)29/h4-5,8-9,12,14-16H,6-7,10-11,13H2,1-3H3,(H,22,23)/t14-,15-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50043386
PNG
(CHEMBL3355073)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
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n/an/a>2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
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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


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
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n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50043409
PNG
(CHEMBL3355474)
Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
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n/an/a>4.60E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043391
PNG
(CHEMBL3355077)
Show SMILES CC1(C)Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12
Show InChI InChI=1S/C21H27ClN6O2S/c1-21(2)13-28-18(12-27(21)17-10-19(22)25-20-15(17)4-7-23-20)16(11-24-28)14-5-8-26(9-6-14)31(3,29)30/h4,7,10-11,14H,5-6,8-9,12-13H2,1-3H3,(H,23,25)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50043386
PNG
(CHEMBL3355073)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
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n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50043408
PNG
(CHEMBL3355475)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r|
PDB
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n/an/a 7.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
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