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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 463.4
BDBM223486
Wt: 497.9
BDBM223477
Wt: 478.4
BDBM223487
Wt: 519.5
BDBM223488
Wt: 479.4
BDBM223489
Wt: 499.9
BDBM223490

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 34 hits in this display   
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))
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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PC cid
PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC cid
PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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PC cid
PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
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+
PDB

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PC sid
UniChem
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...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair