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Compile Data Set for Download or QSAR

Found 210 hits of kd data for polymerid = 2112   
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 mTOR


(Homo sapiens (human))
BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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n/an/an/a 0.420n/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to mTOR


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/an/a 3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MTOR kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 12n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MTOR kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288377
PNG
(US10087187, Compound 68)
Show SMILES Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOC(CO)C2)-c2c[nH]cn2)cccc1C(F)(F)F
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n/an/an/a 56n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288394
PNG
(US10087187, Compound 89)
Show SMILES Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)-c1ccn[nH]1
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n/an/an/a 85n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288331
PNG
(US10087187, Compound 21)
Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2ccn[nH]2)cccc1C(F)(F)F
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n/an/an/a 178n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288376
PNG
(US10087187, Compound 67)
Show SMILES Cc1c(Cl)cccc1Nc1c(CO)nc2c(cc(nn12)N1CCOCC1)-c1c[nH]cn1
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n/an/an/a 186n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/an/a 200n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MTOR kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 355n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 355n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288335
PNG
(US10087187, Compound 25 | US10087187, Compound 27)
Show SMILES CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1
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n/an/an/a 447n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288315
PNG
(US10087187, Compound 8)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ccn[nH]1
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n/an/an/a 525n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM25084
PNG
(3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]ph...)
Show SMILES Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
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n/an/an/a 620n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MTOR kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288395
PNG
(US10087187, Compound 91)
Show SMILES Cc1c(Cc2c(nc3c(N)cc(nn23)N2CCOCC2)C(O)CN)cccc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N6O2/c1-12-13(3-2-4-14(12)21(22,23)24)9-16-19(17(31)11-25)27-20-15(26)10-18(28-30(16)20)29-5-7-32-8-6-29/h2-4,10,17,31H,5-9,11,25-26H2,1H3
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n/an/an/a 776n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288359
PNG
(US10087187, Compound 50)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1)-c1c[nH]cn1
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n/an/an/a 776n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288398
PNG
(US10087187, Compound 97)
Show SMILES Cc1c(F)cccc1Cc1c(CNCCO)nc2c(N)cc(nn12)N1CCOCC1
Show InChI InChI=1S/C21H27FN6O2/c1-14-15(3-2-4-16(14)22)11-19-18(13-24-5-8-29)25-21-17(23)12-20(26-28(19)21)27-6-9-30-10-7-27/h2-4,12,24,29H,5-11,13,23H2,1H3
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n/an/an/a 912n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288335
PNG
(US10087187, Compound 25 | US10087187, Compound 27)
Show SMILES CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1
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n/an/an/a 1.18E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200968
PNG
(CHEMBL3983623 | US10087187, Compound 46)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
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n/an/an/a 1.23E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200968
PNG
(CHEMBL3983623 | US10087187, Compound 46)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
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n/an/an/a 1.23E+3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288329
PNG
(US10087187, Compound 19)
Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2cnc[nH]2)cccc1C(F)(F)F
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n/an/an/a 1.29E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 1.38E+3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 1.38E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288352
PNG
(US10087187, Compound 42)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc2CCNCc12)N1CCOCC1)-c1cnc[nH]1
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n/an/an/a 1.45E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288378
PNG
(US10087187, Compound 69)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1ccccc1CN1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O2/c1-16-21(25-19-5-3-2-4-17(19)15-27-6-10-30-11-7-27)29-22(24-16)18(23)14-20(26-29)28-8-12-31-13-9-28/h2-5,14,25H,6-13,15,23H2,1H3
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n/an/an/a 1.51E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288400
PNG
(US10087187, Compound 101)
Show SMILES CCc1c(F)cccc1Cc1c(CNCCO)nc2c(N)cc(nn12)N1CCOCC1
Show InChI InChI=1S/C22H29FN6O2/c1-2-16-15(4-3-5-17(16)23)12-20-19(14-25-6-9-30)26-22-18(24)13-21(27-29(20)22)28-7-10-31-11-8-28/h3-5,13,25,30H,2,6-12,14,24H2,1H3
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n/an/an/a 1.59E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288399
PNG
(US10087187, Compound 99)
Show SMILES CCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(nn12)N1CCOCC1
Show InChI InChI=1S/C20H24FN5O2/c1-2-14-13(4-3-5-15(14)21)10-18-17(12-27)23-20-16(22)11-19(24-26(18)20)25-6-8-28-9-7-25/h3-5,11,27H,2,6-10,12,22H2,1H3
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n/an/an/a 1.62E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288351
PNG
(US10087187, Compound 41)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
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n/an/an/a 1.70E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288396
PNG
(US10087187, Compound 93)
Show SMILES Cc1c(F)cccc1Cc1c(CO)nc2c(N)cc(nn12)N1CCOCC1
Show InChI InChI=1S/C19H22FN5O2/c1-12-13(3-2-4-14(12)20)9-17-16(11-26)22-19-15(21)10-18(23-25(17)19)24-5-7-27-8-6-24/h2-4,10,26H,5-9,11,21H2,1H3
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n/an/an/a 1.91E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288340
PNG
(US10087187, Compound 30)
Show SMILES CC(O)c1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1c[nH]cn1
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n/an/an/a 2.19E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200977
PNG
(CHEMBL3986383 | US10087187, Compound 5)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)10-20-15(2)29-22-17(19-12-27-13-28-19)11-21(30-32(20)22)31-6-8-33-9-7-31/h3-5,11-13H,6-10H2,1-2H3,(H,27,28)
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n/an/an/a 2.40E+3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200977
PNG
(CHEMBL3986383 | US10087187, Compound 5)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)10-20-15(2)29-22-17(19-12-27-13-28-19)11-21(30-32(20)22)31-6-8-33-9-7-31/h3-5,11-13H,6-10H2,1-2H3,(H,27,28)
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n/an/an/a 2.40E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288334
PNG
(US10087187, Compound 24)
Show SMILES Cc1c(Cc2c(CCO)nc3c(cc(nn23)N2CCOCC2)-c2c[nH]cn2)cccc1C(F)(F)F
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n/an/an/a 2.49E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288390
PNG
(US10087187, Compound 85)
Show SMILES Cc1c(Nc2c(CN)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O/c1-11-12(19(20,21)22)3-2-4-14(11)25-18-15(10-23)26-17-13(24)9-16(27-29(17)18)28-5-7-30-8-6-28/h2-4,9,25H,5-8,10,23-24H2,1H3
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n/an/an/a 2.68E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288372
PNG
(US10087187, Compound 63)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1CN1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3
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n/an/an/a 3.16E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288347
PNG
(US10087187, Compound 37)
Show SMILES Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(N)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3/c1-11-13(20(21,22)23)3-2-4-14(11)25-19-15(10-30)26-18-12(17(24)31)9-16(27-29(18)19)28-5-7-32-8-6-28/h2-4,9,25,30H,5-8,10H2,1H3,(H2,24,31)
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n/an/an/a 3.24E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288311
PNG
(US10087187, Compound 4)
Show SMILES Cc1c(Cc2c(CNCCO)nc3c(cc(nn23)N2CCOCC2)-c2ncc[nH]2)cccc1C(F)(F)F
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n/an/an/a>3.31E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200976
PNG
(CHEMBL3946307)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27)
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n/an/an/a 4.68E+3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288344
PNG
(US10087187, Compound 34 | US10087187, Compound 35)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
PDB
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n/an/an/a 4.68E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288349
PNG
(US10087187, Compound 39)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C)N1CCOCC1
Show InChI InChI=1S/C19H24N6O/c1-12-5-4-6-16(13(12)2)22-18-14(3)21-19-15(20)11-17(23-25(18)19)24-7-9-26-10-8-24/h4-6,11,22H,7-10,20H2,1-3H3
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n/an/an/a 4.90E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288321
PNG
(US10087187, Compound 14 | US10087187, Compound 14a...)
Show SMILES Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3
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n/an/an/a 5.25E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288354
PNG
(US10087187, Compound 44)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1
Show InChI InChI=1S/C18H21FN6O/c1-11-13(19)4-3-5-15(11)22-17-12(2)21-18-14(20)10-16(23-25(17)18)24-6-8-26-9-7-24/h3-5,10,22H,6-9,20H2,1-2H3
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n/an/an/a 5.37E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288321
PNG
(US10087187, Compound 14 | US10087187, Compound 14a...)
Show SMILES Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3
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n/an/an/a>5.69E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288397
PNG
(US10087187, Compound 94)
Show SMILES Cc1nc2c(N)cc(nn2c1Cc1cccc(F)c1CO)N1CCOCC1
Show InChI InChI=1S/C19H22FN5O2/c1-12-17(9-13-3-2-4-15(20)14(13)11-26)25-19(22-12)16(21)10-18(23-25)24-5-7-27-8-6-24/h2-4,10,26H,5-9,11,21H2,1H3
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n/an/an/a 5.75E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288392
PNG
(US10087187, Compound 87)
Show SMILES Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C22H27N7O3/c1-15-21(25-17-4-2-3-5-18(17)27-6-10-31-11-7-27)29-22(24-15)16(20(23)30)14-19(26-29)28-8-12-32-13-9-28/h2-5,14,25H,6-13H2,1H3,(H2,23,30)
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n/an/an/a 5.89E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288366
PNG
(US10087187, Compound 57)
Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(cc(nn34)N3CCOCC3)-c3c[nH]cn3)cccc2C(F)(F)F)CC1
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n/an/an/a 6.31E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288321
PNG
(US10087187, Compound 14 | US10087187, Compound 14a...)
Show SMILES Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3
PDB
MMDB

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n/an/an/a 6.76E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50200929
PNG
(CHEMBL3894812)
Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2.CH4O3S/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27;1-5(2,3)4/h2-4,10,29H,5-9,11,24H2,1H3;1H3,(H,2,3,4)
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n/an/an/a 6.76E+3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288310
PNG
(US10087187, Compound 3)
Show SMILES Cc1c(Cc2c(CNCCO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C22H27F3N6O2/c1-14-15(3-2-4-16(14)22(23,24)25)11-19-18(13-27-5-8-32)28-21-17(26)12-20(29-31(19)21)30-6-9-33-10-7-30/h2-4,12,27,32H,5-11,13,26H2,1H3
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n/an/an/a 7.94E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM288384
PNG
(US10087187, Compound 79 | US10087187, Compound 84)
Show SMILES CC(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O3/c1-12-14(22(23,24)25)4-3-5-16(12)28-20-17(11-35-21(33)13(2)26)29-19-15(27)10-18(30-32(19)20)31-6-8-34-9-7-31/h3-5,10,13,28H,6-9,11,26-27H2,1-2H3
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n/an/an/a 7.94E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
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