Found 29 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143236
(US8940771, 48)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C1(CCC1)C(F)(F)F |r| Show InChI InChI=1S/C21H24F3N5O2S/c1-12-15(13-5-9-26-14(11-13)20(7-3-8-20)21(22,23)24)32-17(27-12)28-18(31)29-10-4-6-19(29,2)16(25)30/h5,9,11H,3-4,6-8,10H2,1-2H3,(H2,25,30)(H,27,28,31)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143305
(US8940771, 119)Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-17(2,19(20,21)22)13-9-11(5-7-24-13)12-10-25-15(30-12)26-16(29)27-8-4-6-18(27,3)14(23)28/h5,7,9-10H,4,6,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143234
(US8940771, 46)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O2S/c1-11-14(12-4-8-25-13(10-12)19(6-7-19)20(21,22)23)31-16(26-11)27-17(30)28-9-3-5-18(28,2)15(24)29/h4,8,10H,3,5-7,9H2,1-2H3,(H2,24,29)(H,26,27,30)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM47110
(US8940771, 3)Show SMILES CC(C)(C)c1nccc(n1)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1 Show InChI InChI=1S/C17H22N6O2S/c1-17(2,3)14-19-7-6-10(21-14)12-9-20-15(26-12)22-16(25)23-8-4-5-11(23)13(18)24/h6-7,9,11H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM47111
(US8940771, 7)Show SMILES CC(C)(C)c1cc(ccn1)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1 Show InChI InChI=1S/C18H23N5O2S/c1-18(2,3)14-9-11(6-7-20-14)13-10-21-16(26-13)22-17(25)23-8-4-5-12(23)15(19)24/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,19,24)(H,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143237
(US8940771, 49)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N |r| Show InChI InChI=1S/C20H22N6O2S/c1-12-15(13-4-8-23-14(10-13)20(11-21)6-7-20)29-17(24-12)25-18(28)26-9-3-5-19(26,2)16(22)27/h4,8,10H,3,5-7,9H2,1-2H3,(H2,22,27)(H,24,25,28)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143315
(US8940771, 129)Show SMILES CC1(CC1)c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1Cl |r| Show InChI InChI=1S/C19H22ClN5O2S/c1-18(6-7-18)12-10-11(4-8-22-12)13-14(20)23-16(28-13)24-17(27)25-9-3-5-19(25,2)15(21)26/h4,8,10H,3,5-7,9H2,1-2H3,(H2,21,26)(H,23,24,27)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143303
(US8940771, 117)Show SMILES CC1(CC1)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1 |r| Show InChI InChI=1S/C19H23N5O2S/c1-18(6-7-18)14-10-12(4-8-21-14)13-11-22-16(27-13)23-17(26)24-9-3-5-19(24,2)15(20)25/h4,8,10-11H,3,5-7,9H2,1-2H3,(H2,20,25)(H,22,23,26)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143310
(US8940771, 124)Show SMILES COc1ccc(cc1)C(C)(C)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1 |r| Show InChI InChI=1S/C25H29N5O3S/c1-24(2,17-6-8-18(33-4)9-7-17)20-14-16(10-12-27-20)19-15-28-22(34-19)29-23(32)30-13-5-11-25(30,3)21(26)31/h6-10,12,14-15H,5,11,13H2,1-4H3,(H2,26,31)(H,28,29,32)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143253
(US8940771, 65)Show SMILES Cc1nc(NC(=O)N2C[C@H](O)C[C@@]2(C)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C19H26N6O3S/c1-10-13(12-6-7-21-15(23-12)18(2,3)4)29-16(22-10)24-17(28)25-9-11(26)8-19(25,5)14(20)27/h6-7,11,26H,8-9H2,1-5H3,(H2,20,27)(H,22,24,28)/t11-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM47115
(US8940771, 40)Show SMILES CC1(CC1)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@]2(C)C(N)=O)s1 |r| Show InChI InChI=1S/C19H23N5O2S/c1-18(6-7-18)14-10-12(4-8-21-14)13-11-22-16(27-13)23-17(26)24-9-3-5-19(24,2)15(20)25/h4,8,10-11H,3,5-7,9H2,1-2H3,(H2,20,25)(H,22,23,26)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143235
(US8940771, 253 | US8940771, 47)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H24F3N5O2S/c1-11-14(12-6-8-25-13(10-12)18(2,3)20(21,22)23)31-16(26-11)27-17(30)28-9-5-7-19(28,4)15(24)29/h6,8,10H,5,7,9H2,1-4H3,(H2,24,29)(H,26,27,30)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143254
(US8940771, 66)Show SMILES Cc1nc(NC(=O)N2C[C@@H](F)C[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C18H23FN6O2S/c1-9-13(11-5-6-21-15(23-11)18(2,3)4)28-16(22-9)24-17(27)25-8-10(19)7-12(25)14(20)26/h5-6,10,12H,7-8H2,1-4H3,(H2,20,26)(H,22,24,27)/t10-,12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143294
(US8940771, 107)Show SMILES CN(C)C[C@]1(CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(n1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C21H31N7O2S/c1-13-15(14-8-10-23-17(25-14)20(2,3)4)31-18(24-13)26-19(30)28-11-7-9-21(28,16(22)29)12-27(5)6/h8,10H,7,9,11-12H2,1-6H3,(H2,22,29)(H,24,26,30)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM47112
(US8940771, 11)Show SMILES CC(C)(C)c1nccc(n1)-c1cnc(NC(=O)N2CC3CC3C2C(N)=O)s1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,3)15-20-5-4-11(22-15)12-7-21-16(27-12)23-17(26)24-8-9-6-10(9)13(24)14(19)25/h4-5,7,9-10,13H,6,8H2,1-3H3,(H2,19,25)(H,21,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143299
(US8940771, 112)Show SMILES COC[C@]1(CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(n1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C20H28N6O3S/c1-12-14(13-7-9-22-16(24-13)19(2,3)4)30-17(23-12)25-18(28)26-10-6-8-20(26,11-29-5)15(21)27/h7,9H,6,8,10-11H2,1-5H3,(H2,21,27)(H,23,25,28)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143308
(US8940771, 122)Show SMILES CCN(CC)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1 |r| Show InChI InChI=1S/C19H26N6O2S/c1-4-24(5-2)15-11-13(7-9-21-15)14-12-22-17(28-14)23-18(27)25-10-6-8-19(25,3)16(20)26/h7,9,11-12H,4-6,8,10H2,1-3H3,(H2,20,26)(H,22,23,27)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143298
(US8940771, 111)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C19H26N6O2S/c1-11-13(12-7-9-21-15(23-12)18(2,3)4)28-16(22-11)24-17(27)25-10-6-8-19(25,5)14(20)26/h7,9H,6,8,10H2,1-5H3,(H2,20,26)(H,22,24,27)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143297
(US8940771, 110)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(CC2CC2)n1 |r| Show InChI InChI=1S/C19H24N6O2S/c1-11-15(13-6-8-21-14(23-13)10-12-4-5-12)28-17(22-11)24-18(27)25-9-3-7-19(25,2)16(20)26/h6,8,12H,3-5,7,9-10H2,1-2H3,(H2,20,26)(H,22,24,27)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143247
(US8940771, 59)Show SMILES Cc1nc(NC(=O)N2CC(F)(F)C[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(C)CC1 |r| Show InChI InChI=1S/C19H21F2N5O2S/c1-10-14(11-3-6-23-13(7-11)18(2)4-5-18)29-16(24-10)25-17(28)26-9-19(20,21)8-12(26)15(22)27/h3,6-7,12H,4-5,8-9H2,1-2H3,(H2,22,27)(H,24,25,28)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143276
(US8940771, 88)Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CC[C@@H]3C[C@]23C(N)=O)nc1C |r| Show InChI InChI=1S/C19H25N7O2S/c1-4-25(5-2)16-21-8-6-13(23-16)14-11(3)22-17(29-14)24-18(28)26-9-7-12-10-19(12,26)15(20)27/h6,8,12H,4-5,7,9-10H2,1-3H3,(H2,20,27)(H,22,24,28)/t12-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143289
(US8940771, 101)Show SMILES CCN(CCOC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C |r| Show InChI InChI=1S/C20H29N7O3S/c1-5-26(11-12-30-4)17-22-9-7-14(24-17)15-13(2)23-18(31-15)25-19(29)27-10-6-8-20(27,3)16(21)28/h7,9H,5-6,8,10-12H2,1-4H3,(H2,21,28)(H,23,25,29)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143300
(US8940771, 114)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C(F)F)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C19H24F2N6O2S/c1-10-12(11-6-8-23-15(25-11)18(2,3)4)30-16(24-10)26-17(29)27-9-5-7-19(27,13(20)21)14(22)28/h6,8,13H,5,7,9H2,1-4H3,(H2,22,28)(H,24,26,29)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143262
(US8940771, 74)Show SMILES CSc1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C |r| Show InChI InChI=1S/C16H20N6O2S2/c1-9-11(10-5-7-18-13(20-10)25-3)26-14(19-9)21-15(24)22-8-4-6-16(22,2)12(17)23/h5,7H,4,6,8H2,1-3H3,(H2,17,23)(H,19,21,24)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143286
(US8940771, 98)Show SMILES CCN(Cc1ccccc1)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C |r| Show InChI InChI=1S/C24H29N7O2S/c1-4-30(15-17-9-6-5-7-10-17)21-26-13-11-18(28-21)19-16(2)27-22(34-19)29-23(33)31-14-8-12-24(31,3)20(25)32/h5-7,9-11,13H,4,8,12,14-15H2,1-3H3,(H2,25,32)(H,27,29,33)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM47109
(US8940771, 1)Show SMILES CCCC1=NC=CC1c1cc(ccc1S(C)(=O)=O)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1 |c:5,t:3| Show InChI InChI=1S/C23H27N5O4S2/c1-3-5-17-15(9-10-25-17)16-12-14(7-8-20(16)34(2,31)32)19-13-26-22(33-19)27-23(30)28-11-4-6-18(28)21(24)29/h7-10,12-13,15,18H,3-6,11H2,1-2H3,(H2,24,29)(H,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143242
(US8940771, 54)Show SMILES COc1ccc(cc1)C1(CC1)c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C |r| Show InChI InChI=1S/C26H29N5O3S/c1-16-21(35-23(29-16)30-24(33)31-14-4-10-25(31,2)22(27)32)17-9-13-28-20(15-17)26(11-12-26)18-5-7-19(34-3)8-6-18/h5-9,13,15H,4,10-12,14H2,1-3H3,(H2,27,32)(H,29,30,33)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143290
(US8940771, 102)Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(n1)-n1ccnc1C |r| Show InChI InChI=1S/C19H22N8O2S/c1-11-14(13-5-7-22-16(24-13)26-10-8-21-12(26)2)30-17(23-11)25-18(29)27-9-4-6-19(27,3)15(20)28/h5,7-8,10H,4,6,9H2,1-3H3,(H2,20,28)(H,23,25,29)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM143268
(US8940771, 80)Show SMILES CN(C)CCN(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C |r| Show InChI InChI=1S/C20H30N8O2S/c1-13-15(14-7-9-22-17(24-14)27(5)12-11-26(3)4)31-18(23-13)25-19(30)28-10-6-8-20(28,2)16(21)29/h7,9H,6,8,10-12H2,1-5H3,(H2,21,29)(H,23,25,30)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG
US Patent
| Assay Description Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole... |
US Patent US8940771 (2015)
BindingDB Entry DOI: 10.7270/Q2TM78VF |
More data for this Ligand-Target Pair | |