BDBM50503953 CHEMBL4471718
SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
InChI Key: InChIKey=AQPHKWXZGQIZLN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50503953 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)) | BDBM50503953
(CHEMBL4471718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H28F2N8O6S/c1-17-22-9-18(19-10-24(29(45-3)33-13-19)39-47(43,44)26-6-5-21(31)12-23(26)32)11-25(27(22)37-16-36-17)46-8-4-7-40(2)30-34-14-20(15-35-30)28(41)38-42/h5-6,9-16,39,42H,4,7-8H2,1-3H3,(H,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | 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)) | BDBM50503953
(CHEMBL4471718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H28F2N8O6S/c1-17-22-9-18(19-10-24(29(45-3)33-13-19)39-47(43,44)26-6-5-21(31)12-23(26)32)11-25(27(22)37-16-36-17)46-8-4-7-40(2)30-34-14-20(15-35-30)28(41)38-42/h5-6,9-16,39,42H,4,7-8H2,1-3H3,(H,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | 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 | |
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