BDBM50503958 CHEMBL4581165
SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1
InChI Key: InChIKey=WSPUWFLFRIFQSS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50503958 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 alpha isoform
(Homo sapiens (Human)) | BDBM50503958
![PNG](/data/jpeg/tenK5050/BindingDB_50503958.png) (CHEMBL4581165)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H31F2N5O6S/c1-18-22-12-19(14-25(28(22)34-17-33-18)42-11-7-5-3-4-6-8-27(37)35-38)20-13-24(29(41-2)32-16-20)36-43(39,40)26-10-9-21(30)15-23(26)31/h9-10,12-17,36,38H,3-8,11H2,1-2H3,(H,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390 |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503958
![PNG](/data/jpeg/tenK5050/BindingDB_50503958.png) (CHEMBL4581165)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H31F2N5O6S/c1-18-22-12-19(14-25(28(22)34-17-33-18)42-11-7-5-3-4-6-8-27(37)35-38)20-13-24(29(41-2)32-16-20)36-43(39,40)26-10-9-21(30)15-23(26)31/h9-10,12-17,36,38H,3-8,11H2,1-2H3,(H,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390 |
More data for this Ligand-Target Pair | |