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Patent code US10550114

Compile Data Set for Download or QSAR
Found 65 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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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1n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431879
PNG
(US10550114, Compound 33)
Show SMILES Clc1cc2[nH]c(=O)n(N3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C35H30ClN7O3/c1-2-32(44)38-29-20-31-30(19-27(29)36)40-35(46)43(31)42-16-14-41(15-17-42)21-22-8-10-24(11-9-22)33-25(23-6-4-3-5-7-23)18-26-28(39-33)12-13-37-34(26)45/h2-13,18-20H,1,14-17,21H2,(H,37,45)(H,38,44)(H,40,46)
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2n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431877
PNG
(US10550114, Compound 32)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h2-15,18,21-22,28H,1,16-17,19-20,23H2,(H,37,44)(H,38,42)(H,39,43)
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4.60n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431882
PNG
(US10550114, Compound 46)
Show SMILES Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O
Show InChI InChI=1S/C37H34N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h3-15,18,21-22,28H,1,16-17,19-20,23H2,2H3,(H,38,45)(H,39,44)
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10.7n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431875
PNG
(US10550114, Compound 30)
Show SMILES Clc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)cc1NC(=O)C=C
Show InChI InChI=1S/C36H33ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h2-14,17,20-21,26H,1,15-16,18-19,22H2,(H,38,45)(H,41,44)(H2,39,40,46)
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18.9n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431881
PNG
(US10550114, Compound 36)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C39H39N7O3/c1-44(2)20-6-9-36(47)41-29-14-15-34-35(23-29)46(39(49)43-34)30-17-21-45(22-18-30)25-26-10-12-28(13-11-26)37-31(27-7-4-3-5-8-27)24-32-33(42-37)16-19-40-38(32)48/h3-16,19,23-24,30H,17-18,20-22,25H2,1-2H3,(H,40,48)(H,41,47)(H,43,49)/b9-6+
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20.2n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431880
PNG
(US10550114, Compound 45)
Show SMILES O=C(Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1)C(=C\C1CC1)\C#N
Show InChI InChI=1S/C40H36N6O3/c41-24-31(21-26-9-10-26)39(48)44-33-8-4-7-30(22-33)38(47)43-32-16-19-46(20-17-32)25-27-11-13-29(14-12-27)37-34(28-5-2-1-3-6-28)23-35-36(45-37)15-18-42-40(35)49/h1-8,11-15,18,21-23,26,32H,9-10,16-17,19-20,25H2,(H,42,49)(H,43,47)(H,44,48)/b31-21+
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45.4n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431876
PNG
(US10550114, Compound 31)
Show SMILES C=CC(=O)Nc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H31N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h2-17,22H,1,18-21,23H2,(H,35,41)(H,36,40)
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67.1n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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94n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431879
PNG
(US10550114, Compound 33)
Show SMILES Clc1cc2[nH]c(=O)n(N3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C35H30ClN7O3/c1-2-32(44)38-29-20-31-30(19-27(29)36)40-35(46)43(31)42-16-14-41(15-17-42)21-22-8-10-24(11-9-22)33-25(23-6-4-3-5-7-23)18-26-28(39-33)12-13-37-34(26)45/h2-13,18-20H,1,14-17,21H2,(H,37,45)(H,38,44)(H,40,46)
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139n/an/an/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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n/an/a 0.200n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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n/an/a 0.400n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431879
PNG
(US10550114, Compound 33)
Show SMILES Clc1cc2[nH]c(=O)n(N3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C35H30ClN7O3/c1-2-32(44)38-29-20-31-30(19-27(29)36)40-35(46)43(31)42-16-14-41(15-17-42)21-22-8-10-24(11-9-22)33-25(23-6-4-3-5-7-23)18-26-28(39-33)12-13-37-34(26)45/h2-13,18-20H,1,14-17,21H2,(H,37,45)(H,38,44)(H,40,46)
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n/an/a 0.700n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431877
PNG
(US10550114, Compound 32)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h2-15,18,21-22,28H,1,16-17,19-20,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 1.5n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM50398379
PNG
(CHEMBL2177390 | US10550114, Compound GDC-0068)
Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50398379
PNG
(CHEMBL2177390 | US10550114, Compound GDC-0068)
Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431877
PNG
(US10550114, Compound 32)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h2-15,18,21-22,28H,1,16-17,19-20,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 2.70n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431882
PNG
(US10550114, Compound 46)
Show SMILES Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O
Show InChI InChI=1S/C37H34N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h3-15,18,21-22,28H,1,16-17,19-20,23H2,2H3,(H,38,45)(H,39,44)
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n/an/a 3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431885
PNG
(US10550114, Compound 49)
Show SMILES C=CC(=O)Nc1ccccc1C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)39-31-11-7-6-10-28(31)36(44)38-27-17-20-41(21-18-27)23-24-12-14-26(15-13-24)34-29(25-8-4-3-5-9-25)22-30-32(40-34)16-19-37-35(30)43/h2-16,19,22,27H,1,17-18,20-21,23H2,(H,37,43)(H,38,44)(H,39,42)
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n/an/a 4.10n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431875
PNG
(US10550114, Compound 30)
Show SMILES Clc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)cc1NC(=O)C=C
Show InChI InChI=1S/C36H33ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h2-14,17,20-21,26H,1,15-16,18-19,22H2,(H,38,45)(H,41,44)(H2,39,40,46)
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n/an/a 6n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/a 6.5n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/a 6.5n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431868
PNG
(US10550114, Compound 1b)
Show SMILES CCC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45)
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n/an/a 7.5n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431884
PNG
(US10550114, Compound 48)
Show SMILES C=CC(=O)Cc1ccc(s1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C35H32N4O3S/c1-2-27(40)20-28-12-13-32(43-28)35(42)37-26-15-18-39(19-16-26)22-23-8-10-25(11-9-23)33-29(24-6-4-3-5-7-24)21-30-31(38-33)14-17-36-34(30)41/h2-14,17,21,26H,1,15-16,18-20,22H2,(H,36,41)(H,37,42)
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n/an/a 8.10n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431875
PNG
(US10550114, Compound 30)
Show SMILES Clc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)cc1NC(=O)C=C
Show InChI InChI=1S/C36H33ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h2-14,17,20-21,26H,1,15-16,18-19,22H2,(H,38,45)(H,41,44)(H2,39,40,46)
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n/an/a 8.90n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431881
PNG
(US10550114, Compound 36)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C39H39N7O3/c1-44(2)20-6-9-36(47)41-29-14-15-34-35(23-29)46(39(49)43-34)30-17-21-45(22-18-30)25-26-10-12-28(13-11-26)37-31(27-7-4-3-5-8-27)24-32-33(42-37)16-19-40-38(32)48/h3-16,19,23-24,30H,17-18,20-22,25H2,1-2H3,(H,40,48)(H,41,47)(H,43,49)/b9-6+
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n/an/a 10.7n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431880
PNG
(US10550114, Compound 45)
Show SMILES O=C(Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1)C(=C\C1CC1)\C#N
Show InChI InChI=1S/C40H36N6O3/c41-24-31(21-26-9-10-26)39(48)44-33-8-4-7-30(22-33)38(47)43-32-16-19-46(20-17-32)25-27-11-13-29(14-12-27)37-34(28-5-2-1-3-6-28)23-35-36(45-37)15-18-42-40(35)49/h1-8,11-15,18,21-23,26,32H,9-10,16-17,19-20,25H2,(H,42,49)(H,43,47)(H,44,48)/b31-21+
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n/an/a 13.7n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431878
PNG
(US10550114, Compound 27)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 18.2n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431883
PNG
(US10550114, Compound 47)
Show SMILES Fc1cc(NC(=C)C=C)ccc1C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C37H34FN5O2/c1-3-24(2)40-29-13-14-30(33(38)21-29)37(45)41-28-16-19-43(20-17-28)23-25-9-11-27(12-10-25)35-31(26-7-5-4-6-8-26)22-32-34(42-35)15-18-39-36(32)44/h3-15,18,21-22,28,40H,1-2,16-17,19-20,23H2,(H,39,44)(H,41,45)
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n/an/a 21.3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431876
PNG
(US10550114, Compound 31)
Show SMILES C=CC(=O)Nc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H31N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h2-17,22H,1,18-21,23H2,(H,35,41)(H,36,40)
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n/an/a 66.7n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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n/an/a 80n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431886
PNG
(US10550114, Compound 50)
Show SMILES C=CC(=O)Nc1ccc(cc1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-28-14-12-27(13-15-28)35(43)39-29-17-20-41(21-18-29)23-24-8-10-26(11-9-24)34-30(25-6-4-3-5-7-25)22-31-32(40-34)16-19-37-36(31)44/h2-16,19,22,29H,1,17-18,20-21,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 87.6n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431879
PNG
(US10550114, Compound 33)
Show SMILES Clc1cc2[nH]c(=O)n(N3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C35H30ClN7O3/c1-2-32(44)38-29-20-31-30(19-27(29)36)40-35(46)43(31)42-16-14-41(15-17-42)21-22-8-10-24(11-9-22)33-25(23-6-4-3-5-7-23)18-26-28(39-33)12-13-37-34(26)45/h2-13,18-20H,1,14-17,21H2,(H,37,45)(H,38,44)(H,40,46)
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n/an/a 116n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431873
PNG
(US10550114, Compound 28)
Show SMILES CN(Cc1ccc(NC(=O)C=C)cc1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C37H37N5O2/c1-3-35(43)39-30-15-11-26(12-16-30)24-41(2)31-18-21-42(22-19-31)25-27-9-13-29(14-10-27)36-32(28-7-5-4-6-8-28)23-33-34(40-36)17-20-38-37(33)44/h3-17,20,23,31H,1,18-19,21-22,24-25H2,2H3,(H,38,44)(H,39,43)
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n/an/a 147n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431885
PNG
(US10550114, Compound 49)
Show SMILES C=CC(=O)Nc1ccccc1C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)39-31-11-7-6-10-28(31)36(44)38-27-17-20-41(21-18-27)23-24-12-14-26(15-13-24)34-29(25-8-4-3-5-9-25)22-30-32(40-34)16-19-37-35(30)43/h2-16,19,22,27H,1,17-18,20-21,23H2,(H,37,43)(H,38,44)(H,39,42)
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n/an/a 166n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431876
PNG
(US10550114, Compound 31)
Show SMILES C=CC(=O)Nc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H31N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h2-17,22H,1,18-21,23H2,(H,35,41)(H,36,40)
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n/an/a 190n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431873
PNG
(US10550114, Compound 28)
Show SMILES CN(Cc1ccc(NC(=O)C=C)cc1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C37H37N5O2/c1-3-35(43)39-30-15-11-26(12-16-30)24-41(2)31-18-21-42(22-19-31)25-27-9-13-29(14-10-27)36-32(28-7-5-4-6-8-28)23-33-34(40-36)17-20-38-37(33)44/h3-17,20,23,31H,1,18-19,21-22,24-25H2,2H3,(H,38,44)(H,39,43)
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n/an/a 243n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431874
PNG
(US10550114, Compound 29)
Show SMILES CN(CCc1ccc(cc1)N(C)C(=O)C=C)Cc1ccc(cc1)-c1nc2ccn(C)c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C35H34N4O2/c1-5-33(40)39(4)29-17-13-25(14-18-29)19-21-37(2)24-26-11-15-28(16-12-26)34-30(27-9-7-6-8-10-27)23-31-32(36-34)20-22-38(3)35(31)41/h5-18,20,22-23H,1,19,21,24H2,2-4H3
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n/an/a 249n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431869
PNG
(US10550114, Compound 2a)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccn3c2-c2ccccc2)nn1
Show InChI InChI=1S/C31H24N6O/c1-2-29(38)32-26-12-8-11-25(19-26)27-21-36(35-34-27)20-22-14-16-23(17-15-22)30-31(24-9-4-3-5-10-24)37-18-7-6-13-28(37)33-30/h2-19,21H,1,20H2,(H,32,38)
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n/an/a 372n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431874
PNG
(US10550114, Compound 29)
Show SMILES CN(CCc1ccc(cc1)N(C)C(=O)C=C)Cc1ccc(cc1)-c1nc2ccn(C)c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C35H34N4O2/c1-5-33(40)39(4)29-17-13-25(14-18-29)19-21-37(2)24-26-11-15-28(16-12-26)34-30(27-9-7-6-8-10-27)23-31-32(36-34)20-22-38(3)35(31)41/h5-18,20,22-23H,1,19,21,24H2,2-4H3
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n/an/a 387n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431884
PNG
(US10550114, Compound 48)
Show SMILES C=CC(=O)Cc1ccc(s1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C35H32N4O3S/c1-2-27(40)20-28-12-13-32(43-28)35(42)37-26-15-18-39(19-16-26)22-23-8-10-25(11-9-23)33-29(24-6-4-3-5-7-24)21-30-31(38-33)14-17-36-34(30)41/h2-14,17,21,26H,1,15-16,18-20,22H2,(H,36,41)(H,37,42)
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n/an/a 397n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431877
PNG
(US10550114, Compound 32)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h2-15,18,21-22,28H,1,16-17,19-20,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 525n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431882
PNG
(US10550114, Compound 46)
Show SMILES Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O
Show InChI InChI=1S/C37H34N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h3-15,18,21-22,28H,1,16-17,19-20,23H2,2H3,(H,38,45)(H,39,44)
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n/an/a 952n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431870
PNG
(US10550114, Compound 2b)
Show SMILES CCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccn3c2-c2ccccc2)nn1
Show InChI InChI=1S/C31H26N6O/c1-2-29(38)32-26-12-8-11-25(19-26)27-21-36(35-34-27)20-22-14-16-23(17-15-22)30-31(24-9-4-3-5-10-24)37-18-7-6-13-28(37)33-30/h3-19,21H,2,20H2,1H3,(H,32,38)
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n/an/a 992n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431881
PNG
(US10550114, Compound 36)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C39H39N7O3/c1-44(2)20-6-9-36(47)41-29-14-15-34-35(23-29)46(39(49)43-34)30-17-21-45(22-18-30)25-26-10-12-28(13-11-26)37-31(27-7-4-3-5-8-27)24-32-33(42-37)16-19-40-38(32)48/h3-16,19,23-24,30H,17-18,20-22,25H2,1-2H3,(H,40,48)(H,41,47)(H,43,49)/b9-6+
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n/an/a 1.84E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431875
PNG
(US10550114, Compound 30)
Show SMILES Clc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)cc1NC(=O)C=C
Show InChI InChI=1S/C36H33ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h2-14,17,20-21,26H,1,15-16,18-19,22H2,(H,38,45)(H,41,44)(H2,39,40,46)
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n/an/a 1.95E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431886
PNG
(US10550114, Compound 50)
Show SMILES C=CC(=O)Nc1ccc(cc1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-28-14-12-27(13-15-28)35(43)39-29-17-20-41(21-18-29)23-24-8-10-26(11-9-24)34-30(25-6-4-3-5-7-25)22-31-32(40-34)16-19-37-36(31)44/h2-16,19,22,29H,1,17-18,20-21,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 2.87E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431883
PNG
(US10550114, Compound 47)
Show SMILES Fc1cc(NC(=C)C=C)ccc1C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C37H34FN5O2/c1-3-24(2)40-29-13-14-30(33(38)21-29)37(45)41-28-16-19-43(20-17-28)23-25-9-11-27(12-10-25)35-31(26-7-5-4-6-8-26)22-32-34(42-35)15-18-39-36(32)44/h3-15,18,21-22,28,40H,1-2,16-17,19-20,23H2,(H,39,44)(H,41,45)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/a 3.49E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431876
PNG
(US10550114, Compound 31)
Show SMILES C=CC(=O)Nc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H31N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h2-17,22H,1,18-21,23H2,(H,35,41)(H,36,40)
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n/an/a 8.77E+3n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431880
PNG
(US10550114, Compound 45)
Show SMILES O=C(Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1)C(=C\C1CC1)\C#N
Show InChI InChI=1S/C40H36N6O3/c41-24-31(21-26-9-10-26)39(48)44-33-8-4-7-30(22-33)38(47)43-32-16-19-46(20-17-32)25-27-11-13-29(14-12-27)37-34(28-5-2-1-3-6-28)23-35-36(45-37)15-18-42-40(35)49/h1-8,11-15,18,21-23,26,32H,9-10,16-17,19-20,25H2,(H,42,49)(H,43,47)(H,44,48)/b31-21+
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n/an/a 2.37E+4n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1 (E17K)


(Homo sapiens (Human))
BDBM431874
PNG
(US10550114, Compound 29)
Show SMILES CN(CCc1ccc(cc1)N(C)C(=O)C=C)Cc1ccc(cc1)-c1nc2ccn(C)c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C35H34N4O2/c1-5-33(40)39(4)29-17-13-25(14-18-29)19-21-37(2)24-26-11-15-28(16-12-26)34-30(27-9-7-6-8-10-27)23-31-32(36-34)20-22-38(3)35(31)41/h5-18,20,22-23H,1,19,21,24H2,2-4H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431875
PNG
(US10550114, Compound 30)
Show SMILES Clc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)cc1NC(=O)C=C
Show InChI InChI=1S/C36H33ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h2-14,17,20-21,26H,1,15-16,18-19,22H2,(H,38,45)(H,41,44)(H2,39,40,46)
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n/an/an/a 468n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431868
PNG
(US10550114, Compound 1b)
Show SMILES CCC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45)
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n/an/an/a 62n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431873
PNG
(US10550114, Compound 28)
Show SMILES CN(Cc1ccc(NC(=O)C=C)cc1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C37H37N5O2/c1-3-35(43)39-30-15-11-26(12-16-30)24-41(2)31-18-21-42(22-19-31)25-27-9-13-29(14-10-27)36-32(28-7-5-4-6-8-28)23-33-34(40-36)17-20-38-37(33)44/h3-17,20,23,31H,1,18-19,21-22,24-25H2,2H3,(H,38,44)(H,39,43)
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n/an/an/a 1.85E+3n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431870
PNG
(US10550114, Compound 2b)
Show SMILES CCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccn3c2-c2ccccc2)nn1
Show InChI InChI=1S/C31H26N6O/c1-2-29(38)32-26-12-8-11-25(19-26)27-21-36(35-34-27)20-22-14-16-23(17-15-22)30-31(24-9-4-3-5-10-24)37-18-7-6-13-28(37)33-30/h3-19,21H,2,20H2,1H3,(H,32,38)
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n/an/an/a 797n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431878
PNG
(US10550114, Compound 27)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43)
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n/an/an/a 79n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431869
PNG
(US10550114, Compound 2a)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccn3c2-c2ccccc2)nn1
Show InChI InChI=1S/C31H24N6O/c1-2-29(38)32-26-12-8-11-25(19-26)27-21-36(35-34-27)20-22-14-16-23(17-15-22)30-31(24-9-4-3-5-10-24)37-18-7-6-13-28(37)33-30/h2-19,21H,1,20H2,(H,32,38)
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n/an/an/a 795n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431876
PNG
(US10550114, Compound 31)
Show SMILES C=CC(=O)Nc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H31N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h2-17,22H,1,18-21,23H2,(H,35,41)(H,36,40)
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n/an/an/a 488n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431879
PNG
(US10550114, Compound 33)
Show SMILES Clc1cc2[nH]c(=O)n(N3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C35H30ClN7O3/c1-2-32(44)38-29-20-31-30(19-27(29)36)40-35(46)43(31)42-16-14-41(15-17-42)21-22-8-10-24(11-9-22)33-25(23-6-4-3-5-7-23)18-26-28(39-33)12-13-37-34(26)45/h2-13,18-20H,1,14-17,21H2,(H,37,45)(H,38,44)(H,40,46)
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n/an/an/a 89n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431877
PNG
(US10550114, Compound 32)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)NC1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C36H33N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h2-15,18,21-22,28H,1,16-17,19-20,23H2,(H,37,44)(H,38,42)(H,39,43)
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n/an/an/a 216n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431867
PNG
(US10550114, Compound 1a)
Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
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n/an/an/a 58n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/an/a 69n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM431874
PNG
(US10550114, Compound 29)
Show SMILES CN(CCc1ccc(cc1)N(C)C(=O)C=C)Cc1ccc(cc1)-c1nc2ccn(C)c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C35H34N4O2/c1-5-33(40)39(4)29-17-13-25(14-18-29)19-21-37(2)24-26-11-15-28(16-12-26)34-30(27-9-7-6-8-10-27)23-31-32(36-34)20-22-38(3)35(31)41/h5-18,20,22-23H,1,19,21,24H2,2-4H3
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n/an/an/a 498n/an/an/an/an/a



TECHNISCHE UNIVERSITÄT DORTMUND

US Patent


Assay Description
iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...


US Patent US10550114 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1N97
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%