Found 12 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)) | BDBM50338198
(3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-3-1-2-15(14-17)19-18-6-9-26(16-4-7-22-8-5-16)20(18)24-21(23-19)25-10-12-28-13-11-25/h1-5,7-8,14,27H,6,9-13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338200
(3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-5-1-3-15(13-17)19-18-6-8-26(16-4-2-7-22-14-16)20(18)24-21(23-19)25-9-11-28-12-10-25/h1-5,7,13-14,27H,6,8-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338196
(3-(7-(1H-benzo[d]imidazol-6-yl)-2-morpholino-6,7-d...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3KC2beta |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3KC2alpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of Vps34 |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065 BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this Ligand-Target Pair | |