BDBM50394903 CHEMBL2165492
SMILES: CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)sc3ccccc23)CC1
InChI Key: InChIKey=HVSSKPLHNASKGA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50394903 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50394903
(CHEMBL2165492)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)sc3ccccc23)CC1 Show InChI InChI=1S/C27H33N5OS2/c1-18-24(21-6-4-5-7-23(21)34-18)26-28-22-16-20(17-31-10-8-19(9-11-31)30(2)3)35-25(22)27(29-26)32-12-14-33-15-13-32/h4-7,16,19H,8-15,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta-mediated AKT phosphorylation at S473 in Ri-1 cells after 30 mins by electrochemiluminescence assay in presence of human... |
J Med Chem 55: 5887-900 (2012)
Article DOI: 10.1021/jm3003747 BindingDB Entry DOI: 10.7270/Q2V125XN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50394903
(CHEMBL2165492)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)sc3ccccc23)CC1 Show InChI InChI=1S/C27H33N5OS2/c1-18-24(21-6-4-5-7-23(21)34-18)26-28-22-16-20(17-31-10-8-19(9-11-31)30(2)3)35-25(22)27(29-26)32-12-14-33-15-13-32/h4-7,16,19H,8-15,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay |
J Med Chem 55: 5887-900 (2012)
Article DOI: 10.1021/jm3003747 BindingDB Entry DOI: 10.7270/Q2V125XN |
More data for this Ligand-Target Pair | |