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Patent code US9320734

Compile Data Set for Download or QSAR
Found 110 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 (Akt)


(Homo sapiens (Human))
BDBM223480
PNG
(US9320734, PtdIns(3,4,5)trisphosphate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33?,36-,37-,38?,39-,40+,41?/m0/s1
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260n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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2.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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2.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338949
PNG
(4-Tetradecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfo...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C22H35N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)29(26,27)25-22-24-23-19-28-22/h15-19H,2-14H2,1H3,(H,24,25)
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6.70E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


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More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338950
PNG
(4-Hexadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfon...)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C24H39N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)31(28,29)27-24-26-25-21-30-24/h17-21H,2-16H2,1H3,(H,26,27)
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6.90E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338948
PNG
(4-Octyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C16H23N3O2S2/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23(20,21)19-16-18-17-13-22-16/h9-13H,2-8H2,1H3,(H,18,19)
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8.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338951
PNG
(4-Octadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfon...)
Show SMILES CCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C26H43N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-21-25(22-20-24)33(30,31)29-26-28-27-23-32-26/h19-23H,2-18H2,1H3,(H,28,29)
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1.14E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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2.18E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338947
PNG
(4-Hexyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C14H19N3O2S2/c1-2-3-4-5-6-12-7-9-13(10-8-12)21(18,19)17-14-16-15-11-20-14/h7-11H,2-6H2,1H3,(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338946
PNG
(4-Butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C12H15N3O2S2/c1-2-3-4-10-5-7-11(8-6-10)19(16,17)15-12-14-13-9-18-12/h5-9H,2-4H2,1H3,(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304371
PNG
(CHEMBL611216 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES COCCOCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C15H20N4O6S2/c1-23-6-7-24-8-9-25-10-14(20)17-12-2-4-13(5-3-12)27(21,22)19-15-18-16-11-26-15/h2-5,11H,6-10H2,1H3,(H,17,20)(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304370
PNG
(CHEMBL593946 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C10H10N4O3S2/c1-7(15)12-8-2-4-9(5-3-8)19(16,17)14-10-13-11-6-18-10/h2-6H,1H3,(H,12,15)(H,13,14)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223474
PNG
(US9320734, 415)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1
Show InChI InChI=1S/C17H19N5O7S2/c1-10-16(11(2)29-20-10)31(25,26)21-12-5-7-13(8-6-12)30(23,24)22-14-9-15(27-3)19-17(18-14)28-4/h5-9,21H,1-4H3,(H,18,19,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223476
PNG
(US9320734, 389)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C20H16ClN7O4S2/c1-11-17(19(30)28(26-11)18(29)13-3-5-14(21)6-4-13)24-23-15-7-9-16(10-8-15)34(31,32)27-20-25-22-12(2)33-20/h3-10,17H,1-2H3,(H,25,27)/b24-23+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304367
PNG
(CHEMBL595786 | N-(4-(N-(5-methyl-1,3,4-thiadiazol-...)
Show SMILES Cc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)s1
Show InChI InChI=1S/C19H16N4O4S3/c1-13-20-21-19(28-13)23-29(24,25)17-10-7-16(8-11-17)22-30(26,27)18-9-6-14-4-2-3-5-15(14)12-18/h2-12,22H,1H3,(H,21,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223482
PNG
(US9320734, 441)
Show SMILES CCOc1ccccc1C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C16H15NO4/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223475
PNG
(US9320734, 345)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1
Show InChI InChI=1S/C11H9N5O4S3/c12-22(17,18)11-15-14-10(21-11)16-23(19,20)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H,14,16)(H2,12,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223484
PNG
(US9320734, 450)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc(OC)n1
Show InChI InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304370
PNG
(CHEMBL593946 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C10H10N4O3S2/c1-7(15)12-8-2-4-9(5-3-8)19(16,17)14-10-13-11-6-18-10/h2-6H,1H3,(H,12,15)(H,13,14)
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Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223485
PNG
(US9320734, 456)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C14H14N6O6S4/c15-9-1-5-11(6-2-9)29(23,24)19-10-3-7-12(8-4-10)30(25,26)20-13-17-18-14(27-13)28(16,21)22/h1-8,19H,15H2,(H,17,20)(H2,16,21,22)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223473
PNG
(US9320734, 444)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Nc3ccco3)cc2)nc(OC)n1
Show InChI InChI=1S/C16H16N4O5S/c1-23-15-10-13(18-16(19-15)24-2)20-26(21,22)12-7-5-11(6-8-12)17-14-4-3-9-25-14/h3-10,17H,1-2H3,(H,18,19,20)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223481
PNG
(US9320734, 439)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H16N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)(H,26,27)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304371
PNG
(CHEMBL611216 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES COCCOCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C15H20N4O6S2/c1-23-6-7-24-8-9-25-10-14(20)17-12-2-4-13(5-3-12)27(21,22)19-15-18-16-11-26-15/h2-5,11H,6-10H2,1H3,(H,17,20)(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223483
PNG
(US9320734, 445)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1
Show InChI InChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was meas...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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n/an/an/a 1.51E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/an/a 1.35E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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n/an/an/a 1.96E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338938
PNG
(CHEMBL1685038 | N-(4-(N-(5-Methyl-1,3,4-thiadiazol...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C19H28N4O3S2/c1-3-4-5-6-7-8-9-10-18(24)20-16-11-13-17(14-12-16)28(25,26)23-19-22-21-15(2)27-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,22,23)
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n/an/an/a 4.67E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338944
PNG
(CHEMBL1685044 | N-(4-(N-(5-(hydroxymethyl)-1,3,4-t...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(CO)s1
Show InChI InChI=1S/C19H28N4O4S2/c1-2-3-4-5-6-7-8-9-17(25)20-15-10-12-16(13-11-15)29(26,27)23-19-22-21-18(14-24)28-19/h10-13,24H,2-9,14H2,1H3,(H,20,25)(H,22,23)
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n/an/an/a 2.45E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338946
PNG
(4-Butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C12H15N3O2S2/c1-2-3-4-10-5-7-11(8-6-10)19(16,17)15-12-14-13-9-18-12/h5-9H,2-4H2,1H3,(H,14,15)
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n/an/an/a 2.37E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223487
PNG
(US9320734, 333)
Show SMILES CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H18N8O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,22H2,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 3.00E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 1.30E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223488
PNG
(US9320734, 332)
Show SMILES CC1=NN(C(=O)c2ccc(cc2)C(C)(C)C)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C25H25N7O4S/c1-16-21(23(34)32(30-16)22(33)17-6-8-18(9-7-17)25(2,3)4)29-28-19-10-12-20(13-11-19)37(35,36)31-24-26-14-5-15-27-24/h5-15,21H,1-4H3,(H,26,27,31)/b29-28+
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n/an/an/a 1.70E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
PDB

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n/an/an/a 1.07E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223480
PNG
(US9320734, PtdIns(3,4,5)trisphosphate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33?,36-,37-,38?,39-,40+,41?/m0/s1
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n/an/an/a 3.08E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223487
PNG
(US9320734, 333)
Show SMILES CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H18N8O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,22H2,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 510n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223474
PNG
(US9320734, 415)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1
Show InChI InChI=1S/C17H19N5O7S2/c1-10-16(11(2)29-20-10)31(25,26)21-12-5-7-13(8-6-12)30(23,24)22-14-9-15(27-3)19-17(18-14)28-4/h5-9,21H,1-4H3,(H,18,19,22)
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n/an/an/a 6.27E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304371
PNG
(CHEMBL611216 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES COCCOCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C15H20N4O6S2/c1-23-6-7-24-8-9-25-10-14(20)17-12-2-4-13(5-3-12)27(21,22)19-15-18-16-11-26-15/h2-5,11H,6-10H2,1H3,(H,17,20)(H,18,19)
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n/an/an/a 2.04E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338952
PNG
(4-Dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzen...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C21H33N3O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-16-20(17-15-19)28(25,26)24-21-23-22-18(2)27-21/h14-17H,3-13H2,1-2H3,(H,23,24)
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n/an/an/a 8.32E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223478
PNG
(US9320734, 110)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
Show InChI InChI=1S/C12H14N4O3S2/c1-3-11-14-15-12(20-11)16-21(18,19)10-6-4-9(5-7-10)13-8(2)17/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)
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n/an/an/a 6.03E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338952
PNG
(4-Dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzen...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C21H33N3O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-16-20(17-15-19)28(25,26)24-21-23-22-18(2)27-21/h14-17H,3-13H2,1-2H3,(H,23,24)
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n/an/an/a 3.63E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338955
PNG
(2-(5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazol...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC(O)=O)s1
Show InChI InChI=1S/C22H33N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)31(28,29)25-22-24-23-20(30-22)17-21(26)27/h13-16H,2-12,17H2,1H3,(H,24,25)(H,26,27)
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n/an/an/a 1.14E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338940
PNG
(CHEMBL1685040 | N-(4-(N-(5-tert-Butyl-1,3,4-thiadi...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C
Show InChI InChI=1S/C22H34N4O3S2/c1-5-6-7-8-9-10-11-12-19(27)23-17-13-15-18(16-14-17)31(28,29)26-21-25-24-20(30-21)22(2,3)4/h13-16H,5-12H2,1-4H3,(H,23,27)(H,25,26)
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n/an/an/a 2.81E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338942
PNG
(CHEMBL1685042 | Ethyl 2-(5-(4-Decanamidophenylsulf...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(CC(=O)OCC)s1
Show InChI InChI=1S/C22H32N4O5S2/c1-3-5-6-7-8-9-10-11-19(27)23-17-12-14-18(15-13-17)33(29,30)26-22-25-24-20(32-22)16-21(28)31-4-2/h12-15H,3-11,16H2,1-2H3,(H,23,27)(H,25,26)
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n/an/an/a 1.05E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223490
PNG
(US9320734, 335)
Show SMILES CC1=NN(C(O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18,20,31H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.45E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.99E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223488
PNG
(US9320734, 332)
Show SMILES CC1=NN(C(=O)c2ccc(cc2)C(C)(C)C)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C25H25N7O4S/c1-16-21(23(34)32(30-16)22(33)17-6-8-18(9-7-17)25(2,3)4)29-28-19-10-12-20(13-11-19)37(35,36)31-24-26-14-5-15-27-24/h5-15,21H,1-4H3,(H,26,27,31)/b29-28+
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n/an/an/a 1.07E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223490
PNG
(US9320734, 335)
Show SMILES CC1=NN(C(O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18,20,31H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.62E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223490
PNG
(US9320734, 335)
Show SMILES CC1=NN(C(O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18,20,31H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 980n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223476
PNG
(US9320734, 389)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C20H16ClN7O4S2/c1-11-17(19(30)28(26-11)18(29)13-3-5-14(21)6-4-13)24-23-15-7-9-16(10-8-15)34(31,32)27-20-25-22-12(2)33-20/h3-10,17H,1-2H3,(H,25,27)/b24-23+
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n/an/an/a 4.58E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338958
PNG
(4-Dodecyl-N-(5-(hydroxymethyl)-1,3,4-thiadiazol-2-...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CO)s1
Show InChI InChI=1S/C21H33N3O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)29(26,27)24-21-23-22-20(17-25)28-21/h13-16,25H,2-12,17H2,1H3,(H,23,24)
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n/an/an/a 4.29E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338947
PNG
(4-Hexyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C14H19N3O2S2/c1-2-3-4-5-6-12-7-9-13(10-8-12)21(18,19)17-14-16-15-11-20-14/h7-11H,2-6H2,1H3,(H,16,17)
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n/an/an/a 1.91E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223486
PNG
(US9320734, 331)
Show SMILES CC1=NN(C(=O)c2ccccc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O4S/c1-14-18(20(30)28(26-14)19(29)15-6-3-2-4-7-15)25-24-16-8-10-17(11-9-16)33(31,32)27-21-22-12-5-13-23-21/h2-13,18H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 2.60E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223490
PNG
(US9320734, 335)
Show SMILES CC1=NN(C(O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18,20,31H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 520n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223486
PNG
(US9320734, 331)
Show SMILES CC1=NN(C(=O)c2ccccc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O4S/c1-14-18(20(30)28(26-14)19(29)15-6-3-2-4-7-15)25-24-16-8-10-17(11-9-16)33(31,32)27-21-22-12-5-13-23-21/h2-13,18H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 3.66E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223488
PNG
(US9320734, 332)
Show SMILES CC1=NN(C(=O)c2ccc(cc2)C(C)(C)C)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C25H25N7O4S/c1-16-21(23(34)32(30-16)22(33)17-6-8-18(9-7-17)25(2,3)4)29-28-19-10-12-20(13-11-19)37(35,36)31-24-26-14-5-15-27-24/h5-15,21H,1-4H3,(H,26,27,31)/b29-28+
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n/an/an/a 1.37E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


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More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 390n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/an/a 4.08E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/an/a 1.35E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338954
PNG
(CHEMBL1685054 | N-(5-tert-Butyl-1,3,4-thiadiazol-2...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C
Show InChI InChI=1S/C24H39N3O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)31(28,29)27-23-26-25-22(30-23)24(2,3)4/h16-19H,5-15H2,1-4H3,(H,26,27)
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n/an/an/a 4.07E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223479
PNG
(US9320734, 109)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Show InChI InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)
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n/an/an/a 7.76E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338952
PNG
(4-Dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzen...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C21H33N3O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-16-20(17-15-19)28(25,26)24-21-23-22-18(2)27-21/h14-17H,3-13H2,1-2H3,(H,23,24)
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n/an/an/a 4.87E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338953
PNG
(4-Dodecyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzene...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC)s1
Show InChI InChI=1S/C22H35N3O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)29(26,27)25-22-24-23-21(4-2)28-22/h15-18H,3-14H2,1-2H3,(H,24,25)
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n/an/an/a 7.30E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338953
PNG
(4-Dodecyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzene...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC)s1
Show InChI InChI=1S/C22H35N3O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)29(26,27)25-22-24-23-21(4-2)28-22/h15-18H,3-14H2,1-2H3,(H,24,25)
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n/an/an/a 7.90E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338957
PNG
(CHEMBL1685056 | Ethyl 5-(4-Dodecylphenylsulfonamid...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(=O)OCC
Show InChI InChI=1S/C23H35N3O4S2/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)32(28,29)26-23-25-24-21(31-23)22(27)30-4-2/h15-18H,3-14H2,1-2H3,(H,25,26)
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n/an/an/a 7.36E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338949
PNG
(4-Tetradecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfo...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C22H35N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)29(26,27)25-22-24-23-19-28-22/h15-19H,2-14H2,1H3,(H,24,25)
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n/an/an/a 5.89E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223488
PNG
(US9320734, 332)
Show SMILES CC1=NN(C(=O)c2ccc(cc2)C(C)(C)C)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C25H25N7O4S/c1-16-21(23(34)32(30-16)22(33)17-6-8-18(9-7-17)25(2,3)4)29-28-19-10-12-20(13-11-19)37(35,36)31-24-26-14-5-15-27-24/h5-15,21H,1-4H3,(H,26,27,31)/b29-28+
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n/an/an/a 1.20E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223490
PNG
(US9320734, 335)
Show SMILES CC1=NN(C(O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18,20,31H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 850n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223487
PNG
(US9320734, 333)
Show SMILES CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H18N8O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,22H2,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.80E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 1.35E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223487
PNG
(US9320734, 333)
Show SMILES CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H18N8O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,22H2,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 140n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223486
PNG
(US9320734, 331)
Show SMILES CC1=NN(C(=O)c2ccccc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O4S/c1-14-18(20(30)28(26-14)19(29)15-6-3-2-4-7-15)25-24-16-8-10-17(11-9-16)33(31,32)27-21-22-12-5-13-23-21/h2-13,18H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 170n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223488
PNG
(US9320734, 332)
Show SMILES CC1=NN(C(=O)c2ccc(cc2)C(C)(C)C)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C25H25N7O4S/c1-16-21(23(34)32(30-16)22(33)17-6-8-18(9-7-17)25(2,3)4)29-28-19-10-12-20(13-11-19)37(35,36)31-24-26-14-5-15-27-24/h5-15,21H,1-4H3,(H,26,27,31)/b29-28+
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n/an/an/a 3.57E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 420n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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n/an/an/a 1.02E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338939
PNG
(CHEMBL1685039 | N-(4-(N-(5-Ethyl-1,3,4-thiadiazol-...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(CC)s1
Show InChI InChI=1S/C20H30N4O3S2/c1-3-5-6-7-8-9-10-11-18(25)21-16-12-14-17(15-13-16)29(26,27)24-20-23-22-19(4-2)28-20/h12-15H,3-11H2,1-2H3,(H,21,25)(H,23,24)
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n/an/an/a 5.25E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338954
PNG
(CHEMBL1685054 | N-(5-tert-Butyl-1,3,4-thiadiazol-2...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C
Show InChI InChI=1S/C24H39N3O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)31(28,29)27-23-26-25-22(30-23)24(2,3)4/h16-19H,5-15H2,1-4H3,(H,26,27)
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n/an/an/a 5.87E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338955
PNG
(2-(5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazol...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC(O)=O)s1
Show InChI InChI=1S/C22H33N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)31(28,29)25-22-24-23-20(30-22)17-21(26)27/h13-16H,2-12,17H2,1H3,(H,24,25)(H,26,27)
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n/an/an/a 1.10E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338956
PNG
(CHEMBL1685055 | Ethyl 2-(5-(4-Dodecylphenylsulfona...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC(=O)OCC)s1
Show InChI InChI=1S/C24H37N3O4S2/c1-3-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)33(29,30)27-24-26-25-22(32-24)19-23(28)31-4-2/h15-18H,3-14,19H2,1-2H3,(H,26,27)
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n/an/an/a 2.07E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.74E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223487
PNG
(US9320734, 333)
Show SMILES CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H18N8O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,22H2,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 2.20E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338953
PNG
(4-Dodecyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzene...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(CC)s1
Show InChI InChI=1S/C22H35N3O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)29(26,27)25-22-24-23-21(4-2)28-22/h15-18H,3-14H2,1-2H3,(H,24,25)
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n/an/an/a 7.59E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338959
PNG
(5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazole-2...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C20H32N4O4S3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)31(27,28)24-19-22-23-20(29-19)30(21,25)26/h13-16H,2-12H2,1H3,(H,22,24)(H2,21,25,26)
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n/an/an/a 4.60E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223486
PNG
(US9320734, 331)
Show SMILES CC1=NN(C(=O)c2ccccc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O4S/c1-14-18(20(30)28(26-14)19(29)15-6-3-2-4-7-15)25-24-16-8-10-17(11-9-16)33(31,32)27-21-22-12-5-13-23-21/h2-13,18H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 2.40E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 2.40E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 3.13E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223475
PNG
(US9320734, 345)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1
Show InChI InChI=1S/C11H9N5O4S3/c12-22(17,18)11-15-14-10(21-11)16-23(19,20)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H,14,16)(H2,12,17,18)
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n/an/an/a 1.79E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304370
PNG
(CHEMBL593946 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C10H10N4O3S2/c1-7(15)12-8-2-4-9(5-3-8)19(16,17)14-10-13-11-6-18-10/h2-6H,1H3,(H,12,15)(H,13,14)
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n/an/an/a 1.02E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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n/an/an/a 450n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338939
PNG
(CHEMBL1685039 | N-(4-(N-(5-Ethyl-1,3,4-thiadiazol-...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(CC)s1
Show InChI InChI=1S/C20H30N4O3S2/c1-3-5-6-7-8-9-10-11-18(25)21-16-12-14-17(15-13-16)29(26,27)24-20-23-22-19(4-2)28-20/h12-15H,3-11H2,1-2H3,(H,21,25)(H,23,24)
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n/an/an/a 1.78E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338943
PNG
(CHEMBL1685043 | Ethyl 5-(4-Decanamidophenylsulfona...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(=O)OCC
Show InChI InChI=1S/C21H30N4O5S2/c1-3-5-6-7-8-9-10-11-18(26)22-16-12-14-17(15-13-16)32(28,29)25-21-24-23-19(31-21)20(27)30-4-2/h12-15H,3-11H2,1-2H3,(H,22,26)(H,24,25)
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n/an/an/a 1.09E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338948
PNG
(4-Octyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C16H23N3O2S2/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23(20,21)19-16-18-17-13-22-16/h9-13H,2-8H2,1H3,(H,18,19)
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n/an/an/a 2.58E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338950
PNG
(4-Hexadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfon...)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C24H39N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)31(28,29)27-24-26-25-21-30-24/h17-21H,2-16H2,1H3,(H,26,27)
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n/an/an/a 9.87E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 1.20E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223486
PNG
(US9320734, 331)
Show SMILES CC1=NN(C(=O)c2ccccc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O4S/c1-14-18(20(30)28(26-14)19(29)15-6-3-2-4-7-15)25-24-16-8-10-17(11-9-16)33(31,32)27-21-22-12-5-13-23-21/h2-13,18H,1H3,(H,22,23,27)/b25-24+
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n/an/an/a 2.40E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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n/an/an/a 370n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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n/an/an/a 4.08E+4n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338957
PNG
(CHEMBL1685056 | Ethyl 5-(4-Dodecylphenylsulfonamid...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(=O)OCC
Show InChI InChI=1S/C23H35N3O4S2/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)32(28,29)26-23-25-24-21(31-23)22(27)30-4-2/h15-18H,3-14H2,1-2H3,(H,25,26)
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n/an/an/a 6.16E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


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Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338940
PNG
(CHEMBL1685040 | N-(4-(N-(5-tert-Butyl-1,3,4-thiadi...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C
Show InChI InChI=1S/C22H34N4O3S2/c1-5-6-7-8-9-10-11-12-19(27)23-17-13-15-18(16-14-17)31(28,29)26-21-25-24-20(30-21)22(2,3)4/h13-16H,5-12H2,1-4H3,(H,23,27)(H,25,26)
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Similars

US Patent
n/an/an/a 2.84E+5n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223477
PNG
(US9320734, 316)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)/b26-25+
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US Patent
n/an/an/a 390n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor substrate 1 (IRS1)


(Homo sapiens (Human))
BDBM223489
PNG
(US9320734, 360)
Show SMILES CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C21H17N7O5S/c1-13-18(20(31)28(26-13)19(30)14-3-7-16(29)8-4-14)25-24-15-5-9-17(10-6-15)34(32,33)27-21-22-11-2-12-23-21/h2-12,18,29H,1H3,(H,22,23,27)/b25-24+
PDB

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US Patent
n/an/an/a 1.74E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%