BDBM50396630 CHEMBL2171946
SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)sc2n1
InChI Key: InChIKey=OUURPGAFNJVIFM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396630 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)) | BDBM50396630
(CHEMBL2171946)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)sc2n1 Show InChI InChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24(33-13-15-36-16-14-33)23-25(31-26)37-22(29-23)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | 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)) | BDBM50396630
(CHEMBL2171946)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)sc2n1 Show InChI InChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24(33-13-15-36-16-14-33)23-25(31-26)37-22(29-23)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | 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 | |