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PubMed code 19894727

Compile data set for download or QSAR
Found 164 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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316254
PNG
(CHEMBL1098245 | methyl 4-(6-(4-(3-(4-(2-hydroxyeth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H36N8O5/c1-43-31(42)38-13-10-25(11-14-38)39-29-26(20-32-39)28(37-15-18-44-19-16-37)35-27(36-29)22-4-8-24(9-5-22)34-30(41)33-23-6-2-21(3-7-23)12-17-40/h2-9,20,25,40H,10-19H2,1H3,(H2,33,34,41)
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n/an/a 0.100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316255
PNG
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316258
PNG
(CHEMBL1098244 | methyl 4-(6-{4-[(anilinocarbonyl)a...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H32N8O4/c1-40-29(39)36-13-11-23(12-14-36)37-27-24(19-30-37)26(35-15-17-41-18-16-35)33-25(34-27)20-7-9-22(10-8-20)32-28(38)31-21-5-3-2-4-6-21/h2-10,19,23H,11-18H2,1H3,(H2,31,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316256
PNG
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35594
PNG
(pyrazolo pyrimidine, 27)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316257
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES OCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-17-12-31-30(40)33-24-8-6-23(7-9-24)27-34-28(37-15-18-41-19-16-37)26-20-32-38(29(26)35-27)25-10-13-36(14-11-25)21-22-4-2-1-3-5-22/h1-9,20,25,39H,10-19,21H2,(H2,31,33,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316260
PNG
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316261
PNG
(CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316262
PNG
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316263
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316265
PNG
(4-(4-morpholino-6-(4-(3-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O4/c1-47-35(46)43-18-13-29(14-19-43)44-33-30(24-36-44)32(42-20-22-48-23-21-42)39-31(40-33)26-6-10-28(11-7-26)38-34(45)37-27-8-4-25(5-9-27)12-17-41-15-2-3-16-41/h4-11,24,29H,2-3,12-23H2,1H3,(H2,37,38,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316266
PNG
(CHEMBL1098247 | methyl 4-(6-(4-(3-(4-(2-(4-methylp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C36H46N10O4/c1-42-17-19-43(20-18-42)14-11-26-3-7-28(8-4-26)38-35(47)39-29-9-5-27(6-10-29)32-40-33(44-21-23-50-24-22-44)31-25-37-46(34(31)41-32)30-12-15-45(16-13-30)36(48)49-2/h3-10,25,30H,11-24H2,1-2H3,(H2,38,39,47)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316281
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O2/c1-2-31-30(39)33-24-10-8-23(9-11-24)27-34-28(37-16-18-40-19-17-37)26-20-32-38(29(26)35-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,2,12-19,21H2,1H3,(H2,31,33,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316267
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C33H35N9O2/c43-33(37-27-7-4-14-34-21-27)36-26-10-8-25(9-11-26)30-38-31(41-17-19-44-20-18-41)29-22-35-42(32(29)39-30)28-12-15-40(16-13-28)23-24-5-2-1-3-6-24/h1-11,14,21-22,28H,12-13,15-20,23H2,(H2,36,37,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316280
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H35FN8O2/c31-12-13-32-30(40)34-24-8-6-23(7-9-24)27-35-28(38-16-18-41-19-17-38)26-20-33-39(29(26)36-27)25-10-14-37(15-11-25)21-22-4-2-1-3-5-22/h1-9,20,25H,10-19,21H2,(H2,32,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35577
PNG
(pyrazolo pyrimidine, 12)
Show SMILES OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O4/c38-14-17-41-29(39)32-23-5-3-22(4-6-23)26-33-27(36-12-15-40-16-13-36)25-19-31-37(28(25)34-26)24-7-10-35(11-8-24)20-21-2-1-9-30-18-21/h1-6,9,18-19,24,38H,7-8,10-17,20H2,(H,32,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316283
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C34H36N8O2/c43-34(36-27-9-5-2-6-10-27)37-28-13-11-26(12-14-28)31-38-32(41-19-21-44-22-20-41)30-23-35-42(33(30)39-31)29-15-17-40(18-16-29)24-25-7-3-1-4-8-25/h1-14,23,29H,15-22,24H2,(H2,36,37,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316284
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H36N8O2/c40-31(34-25-10-11-25)33-24-8-6-23(7-9-24)28-35-29(38-16-18-41-19-17-38)27-20-32-39(30(27)36-28)26-12-14-37(15-13-26)21-22-4-2-1-3-5-22/h1-9,20,25-26H,10-19,21H2,(H2,33,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316271
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N8O2/c29-28(37)31-22-8-6-21(7-9-22)25-32-26(35-14-16-38-17-15-35)24-18-30-36(27(24)33-25)23-10-12-34(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19H2,(H3,29,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35575
PNG
(pyrazolo pyrimidine, 9)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316282
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H38N8O2/c1-22(2)33-31(40)34-25-10-8-24(9-11-25)28-35-29(38-16-18-41-19-17-38)27-20-32-39(30(27)36-28)26-12-14-37(15-13-26)21-23-6-4-3-5-7-23/h3-11,20,22,26H,12-19,21H2,1-2H3,(H2,33,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316285
PNG
(5-(4-Morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-7-6-14(12-22-17)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H2,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316254
PNG
(CHEMBL1098245 | methyl 4-(6-(4-(3-(4-(2-hydroxyeth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H36N8O5/c1-43-31(42)38-13-10-25(11-14-38)39-29-26(20-32-39)28(37-15-18-44-19-16-37)35-27(36-29)22-4-8-24(9-5-22)34-30(41)33-23-6-2-21(3-7-23)12-17-40/h2-9,20,25,40H,10-19H2,1H3,(H2,33,34,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316286
PNG
(CHEMBL1098301 | Methyl{4-[1-(1-Benzylpiperidin-4-y...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H33N7O3/c1-38-29(37)31-23-9-7-22(8-10-23)26-32-27(35-15-17-39-18-16-35)25-19-30-36(28(25)33-26)24-11-13-34(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35594
PNG
(pyrazolo pyrimidine, 27)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316276
PNG
(CHEMBL1098619 | N-[4-(4-Morpholin-4-yl-1-phenyl-1H...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H22N6O2/c1-16(30)25-18-9-7-17(8-10-18)21-26-22(28-11-13-31-14-12-28)20-15-24-29(23(20)27-21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3,(H,25,30)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316287
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O3/c1-39-34-29(38)31-23-9-7-22(8-10-23)26-32-27(36-15-17-40-18-16-36)25-19-30-37(28(25)33-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,31,34,38)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316283
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C34H36N8O2/c43-34(36-27-9-5-2-6-10-27)37-28-13-11-26(12-14-28)31-38-32(41-19-21-44-22-20-41)30-23-35-42(33(30)39-31)29-15-17-40(18-16-29)24-25-7-3-1-4-8-25/h1-14,23,29H,15-22,24H2,(H2,36,37,43)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316258
PNG
(CHEMBL1098244 | methyl 4-(6-{4-[(anilinocarbonyl)a...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H32N8O4/c1-40-29(39)36-13-11-23(12-14-36)37-27-24(19-30-37)26(35-15-17-41-18-16-35)33-25(34-27)20-7-9-22(10-8-20)32-28(38)31-21-5-3-2-4-6-21/h2-10,19,23H,11-18H2,1H3,(H2,31,32,38)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316288
PNG
(CHEMBL1098300 | Methyl [4-(4-Morpholin-4-yl-1-phen...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H22N6O3/c1-31-23(30)25-17-9-7-16(8-10-17)20-26-21(28-11-13-32-14-12-28)19-15-24-29(22(19)27-20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,30)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316266
PNG
(CHEMBL1098247 | methyl 4-(6-(4-(3-(4-(2-(4-methylp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C36H46N10O4/c1-42-17-19-43(20-18-42)14-11-26-3-7-28(8-4-26)38-35(47)39-29-9-5-27(6-10-29)32-40-33(44-21-23-50-24-22-44)31-25-37-46(34(31)41-32)30-12-15-45(16-13-30)36(48)49-2/h3-10,25,30H,11-24H2,1-2H3,(H2,38,39,47)
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316289
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES COCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H38N8O3/c1-41-18-13-32-31(40)34-25-9-7-24(8-10-25)28-35-29(38-16-19-42-20-17-38)27-21-33-39(30(27)36-28)26-11-14-37(15-12-26)22-23-5-3-2-4-6-23/h2-10,21,26H,11-20,22H2,1H3,(H2,32,34,40)
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n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316290
PNG
(1-methoxy-3-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-y...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O3/c1-39-34-28(38)31-22-6-4-21(5-7-22)25-32-26(36-13-15-40-16-14-36)24-18-30-37(27(24)33-25)23-8-11-35(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,31,34,38)
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n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316279
PNG
(6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyr...)
Show SMILES C1CN(CCO1)c1nc(nc2n(ncc12)-c1ccccc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316268
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C32H41N9O2/c1-38(2)17-14-33-32(42)35-26-10-8-25(9-11-26)29-36-30(40-18-20-43-21-19-40)28-22-34-41(31(28)37-29)27-12-15-39(16-13-27)23-24-6-4-3-5-7-24/h3-11,22,27H,12-21,23H2,1-2H3,(H2,33,35,42)
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n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316263
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316265
PNG
(4-(4-morpholino-6-(4-(3-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O4/c1-47-35(46)43-18-13-29(14-19-43)44-33-30(24-36-44)32(42-20-22-48-23-21-42)39-31(40-33)26-6-10-28(11-7-26)38-34(45)37-27-8-4-25(5-9-27)12-17-41-15-2-3-16-41/h4-11,24,29H,2-3,12-23H2,1H3,(H2,37,38,45)
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n/an/a 34n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316261
PNG
(CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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n/an/a 41n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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n/an/a 41n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316267
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C33H35N9O2/c43-33(37-27-7-4-14-34-21-27)36-26-10-8-25(9-11-26)30-38-31(41-17-19-44-20-18-41)29-22-35-42(32(29)39-30)28-12-15-40(16-13-28)23-24-5-2-1-3-6-24/h1-11,14,21-22,28H,12-13,15-20,23H2,(H2,36,37,43)
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n/an/a 55n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316285
PNG
(5-(4-Morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-7-6-14(12-22-17)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H2,21,22)
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n/an/a 59n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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n/an/a 64n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316268
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C32H41N9O2/c1-38(2)17-14-33-32(42)35-26-10-8-25(9-11-26)29-36-30(40-18-20-43-21-19-40)28-22-34-41(31(28)37-29)27-12-15-39(16-13-27)23-24-6-4-3-5-7-24/h3-11,22,27H,12-21,23H2,1-2H3,(H2,33,35,42)
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n/an/a 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316269
PNG
(4-(4-Morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C21H20N6O/c22-16-8-6-15(7-9-16)19-24-20(26-10-12-28-13-11-26)18-14-23-27(21(18)25-19)17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
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n/an/a 73n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316270
PNG
(CHEMBL1097603 | N'-{4-[1-(1-benzylpiperidin-4-yl)-...)
Show SMILES CN(C)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O2/c1-35(2)30(39)32-24-10-8-23(9-11-24)27-33-28(37-16-18-40-19-17-37)26-20-31-38(29(26)34-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H,32,39)
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n/an/a 76n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316271
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N8O2/c29-28(37)31-22-8-6-21(7-9-22)25-32-26(35-14-16-38-17-15-35)24-18-30-36(27(24)33-25)23-10-12-34(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19H2,(H3,29,31,37)
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n/an/a 83n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316272
PNG
(CHEMBL1097561 | N-{4-[1-(1-benzylpiperidin-4-yl)-4...)
Show SMILES CN(C)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H37N9O2/c1-36(2)35-30(40)32-24-10-8-23(9-11-24)27-33-28(38-16-18-41-19-17-38)26-20-31-39(29(26)34-27)25-12-14-37(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H2,32,35,40)
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n/an/a 84n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316257
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES OCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-17-12-31-30(40)33-24-8-6-23(7-9-24)27-34-28(37-15-18-41-19-16-37)26-20-32-38(29(26)35-27)25-10-13-36(14-11-25)21-22-4-2-1-3-5-22/h1-9,20,25,39H,10-19,21H2,(H2,31,33,40)
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n/an/a 86n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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n/an/a 100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316273
PNG
(3-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C21H20N6O/c22-16-6-4-5-15(13-16)19-24-20(26-9-11-28-12-10-26)18-14-23-27(21(18)25-19)17-7-2-1-3-8-17/h1-8,13-14H,9-12,22H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316274
PNG
(6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1cccc(n1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-8-4-7-16(23-17)18-24-19(26-9-11-28-12-10-26)15-13-22-27(20(15)25-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316275
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CN1CCC(CC1)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C34H43N9O2/c1-40-15-11-28(12-16-40)37-34(44)36-27-9-7-26(8-10-27)31-38-32(42-19-21-45-22-20-42)30-23-35-43(33(30)39-31)29-13-17-41(18-14-29)24-25-5-3-2-4-6-25/h2-10,23,28-29H,11-22,24H2,1H3,(H2,36,37,44)
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n/an/a 125n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316276
PNG
(CHEMBL1098619 | N-[4-(4-Morpholin-4-yl-1-phenyl-1H...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H22N6O2/c1-16(30)25-18-9-7-17(8-10-18)21-26-22(28-11-13-31-14-12-28)20-15-24-29(23(20)27-21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3,(H,25,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316277
PNG
(6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(nc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-14-6-7-17(22-12-14)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11,21H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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n/an/a 148n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316278
PNG
(2-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CNC(=O)Cc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316255
PNG
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316292
PNG
(4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-...)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O/c28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19,28H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316279
PNG
(6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyr...)
Show SMILES C1CN(CCO1)c1nc(nc2n(ncc12)-c1ccccc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316280
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H35FN8O2/c31-12-13-32-30(40)34-24-8-6-23(7-9-24)27-35-28(38-16-18-41-19-17-38)26-20-33-39(29(26)36-27)25-10-14-37(15-11-25)21-22-4-2-1-3-5-22/h1-9,20,25H,10-19,21H2,(H2,32,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316281
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O2/c1-2-31-30(39)33-24-10-8-23(9-11-24)27-34-28(37-16-18-40-19-17-37)26-20-32-38(29(26)35-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,2,12-19,21H2,1H3,(H2,31,33,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316282
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H38N8O2/c1-22(2)33-31(40)34-25-10-8-24(9-11-25)28-35-29(38-16-18-41-19-17-38)27-20-32-39(30(27)36-28)26-12-14-37(15-13-26)21-23-6-4-3-5-7-23/h3-11,20,22,26H,12-19,21H2,1-2H3,(H2,33,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35577
PNG
(pyrazolo pyrimidine, 12)
Show SMILES OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O4/c38-14-17-41-29(39)32-23-5-3-22(4-6-23)26-33-27(36-12-15-40-16-13-36)25-19-31-37(28(25)34-26)24-7-10-35(11-8-24)20-21-2-1-9-30-18-21/h1-6,9,18-19,24,38H,7-8,10-17,20H2,(H,32,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316269
PNG
(4-(4-Morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C21H20N6O/c22-16-8-6-15(7-9-16)19-24-20(26-10-12-28-13-11-26)18-14-23-27(21(18)25-19)17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316287
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O3/c1-39-34-29(38)31-23-9-7-22(8-10-23)26-32-27(36-15-17-40-18-16-36)25-19-30-37(28(25)33-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,31,34,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316284
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H36N8O2/c40-31(34-25-10-11-25)33-24-8-6-23(7-9-24)28-35-29(38-16-18-41-19-17-38)27-20-32-39(30(27)36-28)26-12-14-37(15-13-26)21-22-4-2-1-3-5-22/h1-9,20,25-26H,10-19,21H2,(H2,33,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316289
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES COCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H38N8O3/c1-41-18-13-32-31(40)34-25-9-7-24(8-10-25)28-35-29(38-16-19-42-20-17-38)27-21-33-39(30(27)36-28)26-11-14-37(15-12-26)22-23-5-3-2-4-6-23/h2-10,21,26H,11-20,22H2,1H3,(H2,32,34,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316273
PNG
(3-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C21H20N6O/c22-16-6-4-5-15(13-16)19-24-20(26-9-11-28-12-10-26)18-14-23-27(21(18)25-19)17-7-2-1-3-8-17/h1-8,13-14H,9-12,22H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316291
PNG
(CHEMBL1095281 | N-Methyl-N-[4-(4-morpholin-4-yl-1-...)
Show SMILES CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316286
PNG
(CHEMBL1098301 | Methyl{4-[1-(1-Benzylpiperidin-4-y...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H33N7O3/c1-38-29(37)31-23-9-7-22(8-10-23)26-32-27(35-15-17-39-18-16-35)25-19-30-36(28(25)33-26)24-11-13-34(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316288
PNG
(CHEMBL1098300 | Methyl [4-(4-Morpholin-4-yl-1-phen...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H22N6O3/c1-31-23(30)25-17-9-7-16(8-10-17)20-26-21(28-11-13-32-14-12-28)19-15-24-29(22(19)27-20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316270
PNG
(CHEMBL1097603 | N'-{4-[1-(1-benzylpiperidin-4-yl)-...)
Show SMILES CN(C)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O2/c1-35(2)30(39)32-24-10-8-23(9-11-24)27-33-28(37-16-18-40-19-17-37)26-20-31-38(29(26)34-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H,32,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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n/an/a 661n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316275
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CN1CCC(CC1)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C34H43N9O2/c1-40-15-11-28(12-16-40)37-34(44)36-27-9-7-26(8-10-27)31-38-32(42-19-21-45-22-20-42)30-23-35-43(33(30)39-31)29-13-17-41(18-14-29)24-25-5-3-2-4-6-25/h2-10,23,28-29H,11-22,24H2,1H3,(H2,36,37,44)
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n/an/a 708n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316260
PNG
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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n/an/a 786n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316291
PNG
(CHEMBL1095281 | N-Methyl-N-[4-(4-morpholin-4-yl-1-...)
Show SMILES CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
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n/an/a 792n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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n/an/a 801n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35575
PNG
(pyrazolo pyrimidine, 9)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37)
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n/an/a 801n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316262
PNG
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38)
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n/an/a 898n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316274
PNG
(6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1cccc(n1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-8-4-7-16(23-17)18-24-19(26-9-11-28-12-10-26)15-13-22-27(20(15)25-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316290
PNG
(1-methoxy-3-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-y...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O3/c1-39-34-28(38)31-22-6-4-21(5-7-22)25-32-26(36-13-15-40-16-14-36)24-18-30-37(27(24)33-25)23-8-11-35(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,31,34,38)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316277
PNG
(6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(nc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-14-6-7-17(22-12-14)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11,21H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316256
PNG
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316262
PNG
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316292
PNG
(4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-...)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O/c28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19,28H2
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n/an/a 1.37E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316255
PNG
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316272
PNG
(CHEMBL1097561 | N-{4-[1-(1-benzylpiperidin-4-yl)-4...)
Show SMILES CN(C)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H37N9O2/c1-36(2)35-30(40)32-24-10-8-23(9-11-24)27-33-28(38-16-18-41-19-17-38)26-20-31-39(29(26)34-27)25-12-14-37(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H2,32,35,40)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316260
PNG
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316256
PNG
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37)
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n/an/a 3.77E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316278
PNG
(2-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CNC(=O)Cc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38)
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n/an/a 4.06E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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n/an/a 6.22E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316255
PNG
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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n/an/a 2.89E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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n/an/a 4.15E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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n/an/a 4.51E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN A


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN A


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316256
PNG
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316262
PNG
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316260
PNG
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%