null
SMILES: CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3nccn23)CC1
InChI Key: InChIKey=UKBGUXPECJIFEA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50394905 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)) | BDBM50394905
(CHEMBL2165669)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3nccn23)CC1 Show InChI InChI=1S/C25H31N7OS/c1-29(2)18-6-9-30(10-7-18)17-19-16-20-23(34-19)25(31-12-14-33-15-13-31)28-24(27-20)21-4-3-5-22-26-8-11-32(21)22/h3-5,8,11,16,18H,6-7,9-10,12-15,17H2,1-2H3 | 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 | 180 | 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)) | BDBM50394905
(CHEMBL2165669)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3nccn23)CC1 Show InChI InChI=1S/C25H31N7OS/c1-29(2)18-6-9-30(10-7-18)17-19-16-20-23(34-19)25(31-12-14-33-15-13-31)28-24(27-20)21-4-3-5-22-26-8-11-32(21)22/h3-5,8,11,16,18H,6-7,9-10,12-15,17H2,1-2H3 | 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 | 27 | 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 | |