BDBM50438630 CHEMBL2414297
SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(N(C)C3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
InChI Key: InChIKey=MDHQOWGCIBPNHT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50438630 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)) | BDBM50438630
(CHEMBL2414297)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(N(C)C3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C28H37N9O3S/c1-4-23-29-21-7-5-6-8-22(21)37(23)27-31-25-24(26(32-27)35-11-13-40-14-12-35)30-28(34(25)3)33(2)20-17-36(18-20)19-9-15-41(38,39)16-10-19/h5-8,19-20H,4,9-18H2,1-3H3 | 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
| 0.590 | 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)) | BDBM50438630
(CHEMBL2414297)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(N(C)C3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C28H37N9O3S/c1-4-23-29-21-7-5-6-8-22(21)37(23)27-31-25-24(26(32-27)35-11-13-40-14-12-35)30-28(34(25)3)33(2)20-17-36(18-20)19-9-15-41(38,39)16-10-19/h5-8,19-20H,4,9-18H2,1-3H3 | 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 | 1.80 | 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 | |