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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Insulin receptor substrate 1 (IRS1)' AND taxid = 9606   
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
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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))
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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...


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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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...


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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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