null
SMILES: CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
InChI Key: InChIKey=JXAABJVXMHQJPG-BUVRLJJBSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50209312 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)) | BDBM50209312
(CHEMBL3885000)Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C21H24N8O4S/c1-15(18-14-23-28-8-7-16(13-22)11-20(18)28)24-25-34(32,33)21-12-17(29(30)31)5-6-19(21)27(4)10-9-26(2)3/h5-8,11-12,14,25H,9-10H2,1-4H3/b24-15+ | 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 | 676 | 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)) | BDBM50209312
(CHEMBL3885000)Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C21H24N8O4S/c1-15(18-14-23-28-8-7-16(13-22)11-20(18)28)24-25-34(32,33)21-12-17(29(30)31)5-6-19(21)27(4)10-9-26(2)3/h5-8,11-12,14,25H,9-10H2,1-4H3/b24-15+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | 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 | |