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PubMed code 21388141

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341506
PNG
(CHEMBL1765627 | N-(5-(3-(2H-Tetrazol-5-yl)imidazo[...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc2ncc(-c3nnn[nH]3)n2c1
Show InChI InChI=1S/C19H12F2N8O2S/c20-13-2-3-17(15(21)6-13)32(30,31)26-14-5-12(7-22-8-14)11-1-4-18-23-9-16(29(18)10-11)19-24-27-28-25-19/h1-10,26H,(H,24,25,27,28)
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n/an/a 0.600n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341493
PNG
(CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...)
Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341496
PNG
(CHEMBL1765617 | N-(5-(3-(2H-Tetrazol-5-yl)imidazo[...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3nnn[nH]3)n2c1)c1ccccc1
Show InChI InChI=1S/C19H14N8O2S/c28-30(29,16-4-2-1-3-5-16)24-15-8-14(9-20-10-15)13-6-7-18-21-11-17(27(18)12-13)19-22-25-26-23-19/h1-12,24H,(H,22,23,25,26)
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n/an/a 0.800n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/a 2n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341505
PNG
(2,4-Difluoro-N-(5-(3-(5-methyl-1,2,4-oxadiazol-3-y...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C21H14F2N6O3S/c1-12-26-21(27-32-12)18-10-25-20-5-2-13(11-29(18)20)14-6-16(9-24-8-14)28-33(30,31)19-4-3-15(22)7-17(19)23/h2-11,28H,1H3
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n/an/a 2n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341491
PNG
(CHEMBL1765461 | N-(5-(3-Acetylimidazo[1,2-a]pyridi...)
Show SMILES CC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H16N4O3S/c1-14(25)19-12-22-20-8-7-15(13-24(19)20)16-9-17(11-21-10-16)23-28(26,27)18-5-3-2-4-6-18/h2-13,23H,1H3
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n/an/a 2n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341501
PNG
(CHEMBL1765622 | N-(5-(3-(Pyridin-4-yl)imidazo[1,2-...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3ccncc3)n2c1)c1ccccc1
Show InChI InChI=1S/C23H17N5O2S/c29-31(30,21-4-2-1-3-5-21)27-20-12-19(13-25-14-20)18-6-7-23-26-15-22(28(23)16-18)17-8-10-24-11-9-17/h1-16,27H
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n/an/a 4n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341500
PNG
(CHEMBL1765621 | N-(5-(3-(Pyridin-3-yl)imidazo[1,2-...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3cccnc3)n2c1)c1ccccc1
Show InChI InChI=1S/C23H17N5O2S/c29-31(30,21-6-2-1-3-7-21)27-20-11-19(13-25-14-20)18-8-9-23-26-15-22(28(23)16-18)17-5-4-10-24-12-17/h1-16,27H
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n/an/a 7n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341504
PNG
(CHEMBL1765625 | N-(5-(3-Cyanoimidazo[1,2-a]pyridin...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc2ncc(C#N)n2c1
Show InChI InChI=1S/C19H11F2N5O2S/c20-14-2-3-18(17(21)6-14)29(27,28)25-15-5-13(8-23-9-15)12-1-4-19-24-10-16(7-22)26(19)11-12/h1-6,8-11,25H
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n/an/a 10n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341492
PNG
(CHEMBL1765462 | N-(5-(3-Cyanoimidazo[1,2-a]pyridin...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(C#N)n2c1)c1ccccc1
Show InChI InChI=1S/C19H13N5O2S/c20-9-17-12-22-19-7-6-14(13-24(17)19)15-8-16(11-21-10-15)23-27(25,26)18-4-2-1-3-5-18/h1-8,10-13,23H
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n/an/a 11n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341499
PNG
(CHEMBL1765620 | N-(5-(3-(3-Cyanophenyl)imidazo[1,2...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3cccc(c3)C#N)n2c1)c1ccccc1
Show InChI InChI=1S/C25H17N5O2S/c26-13-18-5-4-6-19(11-18)24-16-28-25-10-9-20(17-30(24)25)21-12-22(15-27-14-21)29-33(31,32)23-7-2-1-3-8-23/h1-12,14-17,29H
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n/an/a 12n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341497
PNG
(CHEMBL1765618 | N-(5-(3-Morpholinoimidazo[1,2-a]py...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(N3CCOCC3)n2c1)c1ccccc1
Show InChI InChI=1S/C22H21N5O3S/c28-31(29,20-4-2-1-3-5-20)25-19-12-18(13-23-14-19)17-6-7-21-24-15-22(27(21)16-17)26-8-10-30-11-9-26/h1-7,12-16,25H,8-11H2
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n/an/a 36n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341502
PNG
(6-(6-Amino-5-(morpholinosulfonyl)pyridin-3-yl)imid...)
Show SMILES Nc1ncc(cc1S(=O)(=O)N1CCOCC1)-c1ccc2ncc(C#N)n2c1
Show InChI InChI=1S/C17H16N6O3S/c18-8-14-10-20-16-2-1-12(11-23(14)16)13-7-15(17(19)21-9-13)27(24,25)22-3-5-26-6-4-22/h1-2,7,9-11H,3-6H2,(H2,19,21)
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n/an/a 47n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341507
PNG
(3,5-Difluoro-N-(5-(3-(5-methyl-1,2,4-oxadiazol-3-y...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2cc(F)cc(F)c2)c1
Show InChI InChI=1S/C21H14F2N6O3S/c1-12-26-21(27-32-12)19-10-25-20-3-2-13(11-29(19)20)14-4-17(9-24-8-14)28-33(30,31)18-6-15(22)5-16(23)7-18/h2-11,28H,1H3
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n/an/a 81n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341495
PNG
(CHEMBL1765465 | N-(5-(3-(1H-Pyrazol-3-yl)imidazo[1...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3cc[nH]n3)n2c1)c1ccccc1
Show InChI InChI=1S/C21H16N6O2S/c28-30(29,18-4-2-1-3-5-18)26-17-10-16(11-22-12-17)15-6-7-21-23-13-20(27(21)14-15)19-8-9-24-25-19/h1-14,26H,(H,24,25)
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n/an/a 213n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341490
PNG
(CHEMBL1765460 | N-(5-(Imidazo[1,2-a]pyridin-6-yl)p...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2nccn2c1)c1ccccc1
Show InChI InChI=1S/C18H14N4O2S/c23-25(24,17-4-2-1-3-5-17)21-16-10-15(11-19-12-16)14-6-7-18-20-8-9-22(18)13-14/h1-13,21H
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n/an/a 360n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341503
PNG
(5-(3-morpholinoimidazo[1,2-a]pyridin-6-yl)-3-(morp...)
Show SMILES Nc1ncc(cc1S(=O)(=O)N1CCOCC1)-c1ccc2ncc(N3CCOCC3)n2c1
Show InChI InChI=1S/C20H24N6O4S/c21-20-17(31(27,28)25-5-9-30-10-6-25)11-16(12-23-20)15-1-2-18-22-13-19(26(18)14-15)24-3-7-29-8-4-24/h1-2,11-14H,3-10H2,(H2,21,23)
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n/an/a 480n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341498
PNG
(CHEMBL1765619 | N-(5-(3-Phenylimidazo[1,2-a]pyridi...)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncc(-c3ccccc3)n2c1)c1ccccc1
Show InChI InChI=1S/C24H18N4O2S/c29-31(30,22-9-5-2-6-10-22)27-21-13-20(14-25-15-21)19-11-12-24-26-16-23(28(24)17-19)18-7-3-1-4-8-18/h1-17,27H
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n/an/a 720n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 180 mins by luminescent assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/an/a 88n/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to CDK11 by high-throughput binding assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/an/a 25n/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to PIK3CB by high-throughput binding assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/an/a 1.20n/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to PIK3CA by high-throughput binding assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/an/a 39n/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to mTOR by high-throughput binding assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%