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Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'forsblom' and Initial = 'r'   
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
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255582
PNG
(CHEMBL4078783)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-2-21-20(25)16-12-15-17(8-9-22-19(15)23-16)24-10-11-26-13-18(24)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,21,25)(H,22,23)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255603
PNG
(CHEMBL4083992)
Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1
Show InChI InChI=1S/C20H21N5O2/c26-20(23-14-11-27-12-14)16-9-15-18(5-7-22-19(15)24-16)25-8-2-4-17(25)13-3-1-6-21-10-13/h1,3,5-7,9-10,14,17H,2,4,8,11-12H2,(H,22,24)(H,23,26)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255566
PNG
(CHEMBL4094252)
Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C20H21N5O2/c26-20(23-13-11-27-12-13)16-10-14-17(6-8-22-19(14)24-16)25-9-3-5-18(25)15-4-1-2-7-21-15/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,22,24)(H,23,26)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255598
PNG
(CHEMBL4064004)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1
Show InChI InChI=1S/C19H21N5O/c1-2-21-19(25)15-11-14-17(7-9-22-18(14)23-15)24-10-4-6-16(24)13-5-3-8-20-12-13/h3,5,7-9,11-12,16H,2,4,6,10H2,1H3,(H,21,25)(H,22,23)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255568
PNG
(CHEMBL4091768)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccc1
Show InChI InChI=1S/C20H22N4O/c1-2-21-20(25)16-13-15-18(10-11-22-19(15)23-16)24-12-6-9-17(24)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,21,25)(H,22,23)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255621
PNG
(CHEMBL4070624)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1C1CC1
Show InChI InChI=1S/C17H22N4O2/c1-2-18-17(22)13-9-12-14(5-6-19-16(12)20-13)21-7-8-23-10-15(21)11-3-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255622
PNG
(CHEMBL4067896)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1C(C)(C)OC
Show InChI InChI=1S/C18H26N4O2/c1-5-19-17(23)13-11-12-14(8-9-20-16(12)21-13)22-10-6-7-15(22)18(2,3)24-4/h8-9,11,15H,5-7,10H2,1-4H3,(H,19,23)(H,20,21)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255624
PNG
(CHEMBL4101983)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C19H21N5O/c1-2-20-19(25)15-12-13-16(8-10-22-18(13)23-15)24-11-5-7-17(24)14-6-3-4-9-21-14/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3,(H,20,25)(H,22,23)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255581
PNG
(CHEMBL4073623)
Show SMILES O=C(NC1CC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C20H21N5O/c26-20(23-13-6-7-13)16-12-14-17(8-10-22-19(14)24-16)25-11-3-5-18(25)15-4-1-2-9-21-15/h1-2,4,8-10,12-13,18H,3,5-7,11H2,(H,22,24)(H,23,26)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255583
PNG
(CHEMBL4096813)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255623
PNG
(CHEMBL4072758)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ncc12)c1ccccc1
Show InChI InChI=1S/C16H16N4/c1-2-5-12(6-3-1)14-7-4-10-20(14)15-8-9-17-16-13(15)11-18-19-16/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,17,18,19)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM528011
PNG
(US11179399, Example 44_1)
Show SMILES COc1cccc(c1)[C@@H]1CCCCN1c1cc(cc(=O)[nH]1)N1CCOC[C@H]1C |r|
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255585
PNG
(CHEMBL4094381)
Show SMILES C1CN(C(CO1)c1ccccc1)c1ccnc2[nH]ncc12
Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)
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Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM527982
PNG
(US11179399, Example 25_1)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCCC[C@H]1C(F)(F)F |r|
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM528013
PNG
(6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[...)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCN(CC1C(F)(F)F)C(C)=O |r|
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM528009
PNG
(US11179399, Example 43_1)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCOC[C@H]1C(F)(F)F |r|
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM527937
PNG
(6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(3-methyl...)
Show SMILES COc1cccc(c1)C1CCCN1c1cc(cc(=O)[nH]1)N1CCOCC1C
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM527981
PNG
((R) and (S) 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(...)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCCCC1C(F)(F)F |r|
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2891926
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532973
PNG
(Methyl N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridy...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cccnc1C(F)(F)F
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q26113H5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532974
PNG
(Methyl N-[4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(NC(=O)OC)c1
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q26113H5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532979
PNG
(Methyl N-[4-[2-oxo-6-[2-(trifluoromethyl)-1-piperi...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)N1CCCCC1C(F)(F)F
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q26113H5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580120
PNG
(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluorom...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255584
PNG
(CHEMBL4089106)
Show SMILES COC(C)(C)C1CCCN1c1ccnc2[nH]ncc12
Show InChI InChI=1S/C14H20N4O/c1-14(2,19-3)12-5-4-8-18(12)11-6-7-15-13-10(11)9-16-17-13/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16,17)
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n/an/a 5n/an/an/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50255615
PNG
(CHEMBL4061204)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)
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n/an/a 5n/an/an/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532262
PNG
(4-(2-anilinopyrimidin-4-yl)-6-(2-chlorophenyl)-1H-...)
Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532263
PNG
(4-(2-Anilinopyrimidin-4-yl)-6-(3-pyridyl)-1H-pyrid...)
Show SMILES O=c1cc(cc([nH]1)-c1cccnc1)-c1ccnc(Nc2ccccc2)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532265
PNG
(4-(2-anilinopyrimidin-4-yl)-6-morpholino-1H-pyridi...)
Show SMILES O=c1cc(cc([nH]1)N1CCOCC1)-c1ccnc(Nc2ccccc2)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532266
PNG
(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCCCC2C(F)(F)F)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532267
PNG
(4-(2-Anilinopyrimidin-4-yl)-6-[2-(trifluoromethyl)...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532268
PNG
(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCOCC2C(F)(F)F)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532269
PNG
(4-(2-Anilinopyrimidin-4-yl)-6-[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532270
PNG
(6-[4-[(4-Fluorophenyl)methylsulfonyl]-2-(trifluoro...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCN(CC2C(F)(F)F)S(=O)(=O)Cc2ccc(F)cc2)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532271
PNG
(6-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin-1-...)
Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532272
PNG
(4-[2-(Oxazol-2-ylamino)-4-pyridyl]-6-[3-(trifluoro...)
Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ncco2)c1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532274
PNG
(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2C(F)(F)F)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532277
PNG
(6-(4-Methyl-3-pyridyl)-4-[2-[(2-methylpyrimidin-4-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cnccc2C)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532278
PNG
(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cccnc2C(F)(F)F)n1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532279
PNG
(6-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[2-[...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532281
PNG
(6-(2-Chlorophenyl)-4-[2-[(2-methylpyrimidin-4-yl)a...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2Cl)n1
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28055SC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532278
PNG
(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cccnc2C(F)(F)F)n1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532279
PNG
(6-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[2-[...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM532281
PNG
(6-(2-Chlorophenyl)-4-[2-[(2-methylpyrimidin-4-yl)a...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2Cl)n1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580165
PNG
(6-(2-Chlorophenyl)-4-[2-(3-pyridyl)-1H-pyrrolo[2,3...)
Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cccnc1
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TBA

Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580166
PNG
(6-(2-Chlorophenyl)-4-(2-methyl-1H-pyrrolo[2,3-b]py...)
Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)-c1ccccc1Cl
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580167
PNG
(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluorom...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580168
PNG
(4-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(t...)
Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)N1CCCCC1C(F)(F)F
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580170
PNG
(4-[2-(5-Methyl-2-thienyl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES Cc1ccc(s1)-c1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)N1CCOCC1C(F)(F)F
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580171
PNG
(4-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoro...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ncc12
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580172
PNG
(6-[2-(Trifluoromethyl)-1-piperidyl]-4-[2-[2-(trifl...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cnc(nc1)C(F)(F)F
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM580173
PNG
(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluorom...)
Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12
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Assay Description
Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0JZJ
More data for this
Ligand-Target Pair
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