Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50396628' 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)) | BDBM50396628
(CHEMBL2171944)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1 Show InChI InChI=1S/C28H38N8O2/c1-5-22-29-20-8-6-7-9-21(20)36(22)27-31-25-24(26(32-27)35-14-16-38-17-15-35)30-23(33(25)4)18-34-12-10-19(11-13-34)28(2,3)37/h6-9,19,37H,5,10-18H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 23: 4953-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.052 BindingDB Entry DOI: 10.7270/Q2ZG6TP9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396628
(CHEMBL2171944)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1 Show InChI InChI=1S/C28H38N8O2/c1-5-22-29-20-8-6-7-9-21(20)36(22)27-31-25-24(26(32-27)35-14-16-38-17-15-35)30-23(33(25)4)18-34-12-10-19(11-13-34)28(2,3)37/h6-9,19,37H,5,10-18H2,1-4H3 | 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 |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay |
J Med Chem 55: 7686-95 (2012)
Article DOI: 10.1021/jm300717c BindingDB Entry DOI: 10.7270/Q2DB8302 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396628
(CHEMBL2171944)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1 Show InChI InChI=1S/C28H38N8O2/c1-5-22-29-20-8-6-7-9-21(20)36(22)27-31-25-24(26(32-27)35-14-16-38-17-15-35)30-23(33(25)4)18-34-12-10-19(11-13-34)28(2,3)37/h6-9,19,37H,5,10-18H2,1-4H3 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta in Ri-1 cells assessed as inhibition AKt phosphorylation incubated for 30 mins by sandwich immunoassay |
J Med Chem 55: 7686-95 (2012)
Article DOI: 10.1021/jm300717c BindingDB Entry DOI: 10.7270/Q2DB8302 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396628
(CHEMBL2171944)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1 Show InChI InChI=1S/C28H38N8O2/c1-5-22-29-20-8-6-7-9-21(20)36(22)27-31-25-24(26(32-27)35-14-16-38-17-15-35)30-23(33(25)4)18-34-12-10-19(11-13-34)28(2,3)37/h6-9,19,37H,5,10-18H2,1-4H3 | 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 |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human whole blood assessed as expression of CD69 in B cell preincubated for 1 hr by flow cytometry |
Bioorg Med Chem Lett 23: 4953-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.052 BindingDB Entry DOI: 10.7270/Q2ZG6TP9 |
More data for this Ligand-Target Pair | |