Found 7 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50004539' 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)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater affi... |
US Patent US9708333 (2017)
BindingDB Entry DOI: 10.7270/Q2KD20XW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The IC50s obtained by the method of Assay A at 1 mM ATP as described in the US Patent Publications. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4NMD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff... |
US Patent US10053465 (2018)
BindingDB Entry DOI: 10.7270/Q2B27X98 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description [γ-33P]ATP (10 mCi/mL) was purchased from Perking Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (P... |
US Patent US10675284 (2020)
BindingDB Entry DOI: 10.7270/Q2WQ06T5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | 6.7 | 25 |
Incyte Corporation
US Patent
| Assay Description [γ-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinas... |
US Patent US10065963 (2018)
BindingDB Entry DOI: 10.7270/Q2H41TFS |
More data for this Ligand-Target Pair | |