Found 151 hits Enz. Inhib. hit(s) with all data for entry = 1885 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 delta isoform
(Homo sapiens (Human)) | BDBM346183
(US10202371, Example 13)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346183
(US10202371, Example 13)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346183
(US10202371, Example 13)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346182
(US10202371, Example 12)Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346182
(US10202371, Example 12)Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346173
(US10202371, Example 3)Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346180
(US10202371, Example 10)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346173
(US10202371, Example 3)Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346183
(US10202371, Example 13)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346173
(US10202371, Example 3)Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346182
(US10202371, Example 12)Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346173
(US10202371, Example 3)Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346182
(US10202371, Example 12)Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346180
(US10202371, Example 10)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346179
(US10202371, Example 9)Show SMILES CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346181
(US10202371, Example 11)Show SMILES C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346179
(US10202371, Example 9)Show SMILES CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346183
(US10202371, Example 13)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346179
(US10202371, Example 9)Show SMILES CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346181
(US10202371, Example 11)Show SMILES C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50380377
(CHEMBL2017977 | WO2007/084786, Compound 85)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-15(21)25-14)12-9-13(26-1-5-28-6-2-26)24-16(23-12)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346179
(US10202371, Example 9)Show SMILES CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346189
(WO2007/084786, Compound 343)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOC(C2)c2ccccc2)c(n1)C(F)(F)F Show InChI InChI=1S/C23H24F3N7O2/c24-23(25,26)20-16(13-28-21(27)31-20)17-12-19(30-22(29-17)32-6-9-34-10-7-32)33-8-11-35-18(14-33)15-4-2-1-3-5-15/h1-5,12-13,18H,6-11,14H2,(H2,27,28,31) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380377
(CHEMBL2017977 | WO2007/084786, Compound 85)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-15(21)25-14)12-9-13(26-1-5-28-6-2-26)24-16(23-12)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346181
(US10202371, Example 11)Show SMILES C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346181
(US10202371, Example 11)Show SMILES C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346180
(US10202371, Example 10)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM346175
(US10202371, Example 5)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346180
(US10202371, Example 10)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50380377
(CHEMBL2017977 | WO2007/084786, Compound 85)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-15(21)25-14)12-9-13(26-1-5-28-6-2-26)24-16(23-12)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346178
(US10202371, Example 8)Show SMILES CCC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Rattus norvegicus (Rat)) | BDBM346181
(US10202371, Example 11)Show SMILES C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346178
(US10202371, Example 8)Show SMILES CCC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM346172
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346189
(WO2007/084786, Compound 343)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOC(C2)c2ccccc2)c(n1)C(F)(F)F Show InChI InChI=1S/C23H24F3N7O2/c24-23(25,26)20-16(13-28-21(27)31-20)17-12-19(30-22(29-17)32-6-9-34-10-7-32)33-8-11-35-18(14-33)15-4-2-1-3-5-15/h1-5,12-13,18H,6-11,14H2,(H2,27,28,31) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM346184
(US10202371, Example 14)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM346178
(US10202371, Example 8)Show SMILES CCC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Rattus norvegicus (Rat)) | BDBM346179
(US10202371, Example 9)Show SMILES CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM346175
(US10202371, Example 5)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Rattus norvegicus (Rat)) | BDBM346171
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st... |
US Patent US10202371 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2123 |
More data for this
Ligand-Target Pair | |
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