BDBM50438629 CHEMBL2414298
SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
InChI Key: InChIKey=PVAHRMVXBZGNMN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50438629 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)) | BDBM50438629
(CHEMBL2414298)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C27H35N9O3S/c1-3-22-29-20-6-4-5-7-21(20)36(22)27-31-24-23(25(32-27)34-10-12-39-13-11-34)30-26(33(24)2)28-18-16-35(17-18)19-8-14-40(37,38)15-9-19/h4-7,18-19H,3,8-17H2,1-2H3,(H,28,30) | 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
| 0.900 | 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)) | BDBM50438629
(CHEMBL2414298)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C27H35N9O3S/c1-3-22-29-20-6-4-5-7-21(20)36(22)27-31-24-23(25(32-27)34-10-12-39-13-11-34)30-26(33(24)2)28-18-16-35(17-18)19-8-14-40(37,38)15-9-19/h4-7,18-19H,3,8-17H2,1-2H3,(H,28,30) | 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 | 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 | |