BDBM50503960 CHEMBL4445101
SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCC(=O)NO)c2ncnc(C)c2c1
InChI Key: InChIKey=ZHVCBNVDQBAPFE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50503960 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)) | BDBM50503960
![PNG](/data/jpeg/tenK5050/BindingDB_50503960.png) (CHEMBL4445101)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34) | 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 | 0.600 | 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)) | BDBM50503960
![PNG](/data/jpeg/tenK5050/BindingDB_50503960.png) (CHEMBL4445101)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34) | 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 | 303 | 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 | |