Found 150 hits Enz. Inhib. hit(s) with all data for entry = 50043841 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 beta isoform
(Homo sapiens (Human)) | BDBM50447088
(CHEMBL3112850)Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447089
(CHEMBL3112849)Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447078
(CHEMBL3112860 | US9133168, Example 18d)Show SMILES CN1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)CC1 Show InChI InChI=1S/C24H32N6O3/c1-27-7-9-28(10-8-27)17-18-3-2-4-20-19(18)5-6-30(20)24(32)15-21-25-22(16-23(31)26-21)29-11-13-33-14-12-29/h2-4,16H,5-15,17H2,1H3,(H,25,26,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447087
(CHEMBL3112851)Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447089
(CHEMBL3112849)Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447093
(CHEMBL3112690)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12 Show InChI InChI=1S/C18H20N4O3/c23-17-12-16(21-7-9-25-10-8-21)19-15(20-17)11-18(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,12H,5-11H2,(H,19,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447092
(CHEMBL3112847)Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447100
(CHEMBL3112862)Show SMILES CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60629
(BDBM50447090 | US9133168, 16b)Show SMILES Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447087
(CHEMBL3112851)Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM60632
(BDBM50447095 | US9133168, 20b)Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60629
(BDBM50447090 | US9133168, 16b)Show SMILES Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60632
(BDBM50447095 | US9133168, 20b)Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447100
(CHEMBL3112862)Show SMILES CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447088
(CHEMBL3112850)Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447081
(CHEMBL3112857 | US9133168, Example 13d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1 Show InChI InChI=1S/C23H23N5O3/c29-22-14-21(27-9-11-31-12-10-27)25-20(26-22)13-23(30)28-8-6-18-17(4-1-5-19(18)28)16-3-2-7-24-15-16/h1-5,7,14-15H,6,8-13H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447092
(CHEMBL3112847)Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447083
(CHEMBL3112855 | US9133168, Example 2d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447085
(CHEMBL3112853 | US9133168, Example 5d)Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447080
(CHEMBL3112858 | US9133168, Example 10d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1 Show InChI InChI=1S/C23H23N5O3/c29-22-15-21(27-10-12-31-13-11-27)25-20(26-22)14-23(30)28-9-6-18-17(2-1-3-19(18)28)16-4-7-24-8-5-16/h1-5,7-8,15H,6,9-14H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447085
(CHEMBL3112853 | US9133168, Example 5d)Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447094
(CHEMBL1972466)Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60632
(BDBM50447095 | US9133168, 20b)Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447098
(CHEMBL3112864)Show SMILES CC1CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C19H22N4O3/c1-13-12-23(15-5-3-2-4-14(13)15)19(25)10-16-20-17(11-18(24)21-16)22-6-8-26-9-7-22/h2-5,11,13H,6-10,12H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447093
(CHEMBL3112690)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12 Show InChI InChI=1S/C18H20N4O3/c23-17-12-16(21-7-9-25-10-8-21)19-15(20-17)11-18(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,12H,5-11H2,(H,19,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447081
(CHEMBL3112857 | US9133168, Example 13d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1 Show InChI InChI=1S/C23H23N5O3/c29-22-14-21(27-9-11-31-12-10-27)25-20(26-22)13-23(30)28-8-6-18-17(4-1-5-19(18)28)16-3-2-7-24-15-16/h1-5,7,14-15H,6,8-13H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447092
(CHEMBL3112847)Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60630
(BDBM50447097 | US9133168, 18b)Show SMILES CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C20H24N4O3/c1-20(2)13-24(15-6-4-3-5-14(15)20)19(26)11-16-21-17(12-18(25)22-16)23-7-9-27-10-8-23/h3-6,12H,7-11,13H2,1-2H3,(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
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447083
(CHEMBL3112855 | US9133168, Example 2d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447077
(CHEMBL3112861)Show InChI InChI=1S/C19H22N4O3/c1-21-16(20-17(13-18(21)24)22-8-10-26-11-9-22)12-19(25)23-7-6-14-4-2-3-5-15(14)23/h2-5,13H,6-12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447089
(CHEMBL3112849)Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447080
(CHEMBL3112858 | US9133168, Example 10d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1 Show InChI InChI=1S/C23H23N5O3/c29-22-15-21(27-10-12-31-13-11-27)25-20(26-22)14-23(30)28-9-6-18-17(2-1-3-19(18)28)16-4-7-24-8-5-16/h1-5,7-8,15H,6,9-14H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447079
(CHEMBL3112859 | US9133168, Example 26d)Show SMILES CN1CCN(CC1)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H30N6O3/c1-26-7-9-27(10-8-26)18-3-2-4-19-17(18)5-6-29(19)23(31)15-20-24-21(16-22(30)25-20)28-11-13-32-14-12-28/h2-4,16H,5-15H2,1H3,(H,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447098
(CHEMBL3112864)Show SMILES CC1CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C19H22N4O3/c1-13-12-23(15-5-3-2-4-14(13)15)19(25)10-16-20-17(11-18(24)21-16)22-6-8-26-9-7-22/h2-5,11,13H,6-10,12H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60631
(BDBM50447096 | US9133168, 19b)Show SMILES C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447087
(CHEMBL3112851)Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447083
(CHEMBL3112855 | US9133168, Example 2d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60630
(BDBM50447097 | US9133168, 18b)Show SMILES CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C20H24N4O3/c1-20(2)13-24(15-6-4-3-5-14(15)20)19(26)11-16-21-17(12-18(25)22-16)23-7-9-27-10-8-23/h3-6,12H,7-11,13H2,1-2H3,(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
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447093
(CHEMBL3112690)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12 Show InChI InChI=1S/C18H20N4O3/c23-17-12-16(21-7-9-25-10-8-21)19-15(20-17)11-18(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,12H,5-11H2,(H,19,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447094
(CHEMBL1972466)Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447084
(CHEMBL3112854 | US9133168, Example 3d)Show SMILES FC(F)(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O4/c20-19(21,22)30-14-3-1-2-13-12(14)4-5-26(13)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447084
(CHEMBL3112854 | US9133168, Example 3d)Show SMILES FC(F)(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O4/c20-19(21,22)30-14-3-1-2-13-12(14)4-5-26(13)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447100
(CHEMBL3112862)Show SMILES CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447086
(CHEMBL3112852)Show SMILES COc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O4/c1-26-15-4-2-3-14-13(15)5-6-23(14)19(25)11-16-20-17(12-18(24)21-16)22-7-9-27-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447077
(CHEMBL3112861)Show InChI InChI=1S/C19H22N4O3/c1-21-16(20-17(13-18(21)24)22-8-10-26-11-9-22)12-19(25)23-7-6-14-4-2-3-5-15(14)23/h2-5,13H,6-12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60631
(BDBM50447096 | US9133168, 19b)Show SMILES C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447081
(CHEMBL3112857 | US9133168, Example 13d)Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1 Show InChI InChI=1S/C23H23N5O3/c29-22-14-21(27-9-11-31-12-10-27)25-20(26-22)13-23(30)28-8-6-18-17(4-1-5-19(18)28)16-3-2-7-24-15-16/h1-5,7,14-15H,6,8-13H2,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447084
(CHEMBL3112854 | US9133168, Example 3d)Show SMILES FC(F)(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O4/c20-19(21,22)30-14-3-1-2-13-12(14)4-5-26(13)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447088
(CHEMBL3112850)Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT... |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM60631
(BDBM50447096 | US9133168, 19b)Show SMILES C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in BRAF-V600E/PTEN-deficient human UACC62 cells |
J Med Chem 57: 903-20 (2014)
Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |