Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM172634' 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)) | BDBM172634
(US9090628, 294)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C27H38FN7O/c1-17(2)35-26(29-19(4)31-35)23-16-33-12-13-36-24-15-22(28)20(14-21(24)25(33)30-23)18(3)32-8-10-34(11-9-32)27(5,6)7/h14-18H,8-13H2,1-7H3/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta (unknown origin) |
ACS Med Chem Lett 8: 936-940 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00170 BindingDB Entry DOI: 10.7270/Q2CV4M7R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM172634
(US9090628, 294)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C27H38FN7O/c1-17(2)35-26(29-19(4)31-35)23-16-33-12-13-36-24-15-22(28)20(14-21(24)25(33)30-23)18(3)32-8-10-34(11-9-32)27(5,6)7/h14-18H,8-13H2,1-7H3/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.777 | n/a | n/a | n/a | n/a | 7.5 | n/a |
GENENTECH, INC.
US Patent
| Assay Description PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat... |
US Patent US9090628 (2015)
BindingDB Entry DOI: 10.7270/Q26Q1W0V |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM172634
(US9090628, 294)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C27H38FN7O/c1-17(2)35-26(29-19(4)31-35)23-16-33-12-13-36-24-15-22(28)20(14-21(24)25(33)30-23)18(3)32-8-10-34(11-9-32)27(5,6)7/h14-18H,8-13H2,1-7H3/t18-/m1/s1 | 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 | 15 | 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 suppression of CD69 expression |
ACS Med Chem Lett 8: 936-940 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00170 BindingDB Entry DOI: 10.7270/Q2CV4M7R |
More data for this Ligand-Target Pair | |