null
SMILES: CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCCN1CCOCC1)[N+]([O-])=O
InChI Key: InChIKey=AZJHDRSPNKBZGF-MFKUBSTISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50209578 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)) | BDBM50209578
(CHEMBL3883482)Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCCN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C22H24N8O5S/c1-27(25-15-18-16-26-29-6-4-17(14-23)12-21(18)29)36(33,34)22-13-19(30(31)32)2-3-20(22)24-5-7-28-8-10-35-11-9-28/h2-4,6,12-13,15-16,24H,5,7-11H2,1H3/b25-15+ | 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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of p110delta (unknown origin) using L-alpha phosphatidylinositol as substrate after 1 hr in presence of [gamma33]-ATP by thin layer chroma... |
Bioorg Med Chem Lett 27: 187-190 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.078 BindingDB Entry DOI: 10.7270/Q2BG2R0D |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50209578
(CHEMBL3883482)Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCCN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C22H24N8O5S/c1-27(25-15-18-16-26-29-6-4-17(14-23)12-21(18)29)36(33,34)22-13-19(30(31)32)2-3-20(22)24-5-7-28-8-10-35-11-9-28/h2-4,6,12-13,15-16,24H,5,7-11H2,1H3/b25-15+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin... |
Bioorg Med Chem Lett 27: 187-190 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.078 BindingDB Entry DOI: 10.7270/Q2BG2R0D |
More data for this Ligand-Target Pair | |