BDBM50503945 CHEMBL4459720
SMILES: COc1ncc(cc1F)-c1cc(OCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
InChI Key: InChIKey=WGHMRJBZWTVWRG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50503945 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 |
|---|
Cereblon/Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503945
(CHEMBL4459720)Show SMILES COc1ncc(cc1F)-c1cc(OCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H20FN7O4/c1-12-16-5-13(14-6-17(23)21(33-2)25-8-14)7-18(19(16)29-11-28-12)34-4-3-24-22-26-9-15(10-27-22)20(31)30-32/h5-11,32H,3-4H2,1-2H3,(H,30,31)(H,24,26,27) | 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 | 5.30 | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503945
(CHEMBL4459720)Show SMILES COc1ncc(cc1F)-c1cc(OCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H20FN7O4/c1-12-16-5-13(14-6-17(23)21(33-2)25-8-14)7-18(19(16)29-11-28-12)34-4-3-24-22-26-9-15(10-27-22)20(31)30-32/h5-11,32H,3-4H2,1-2H3,(H,30,31)(H,24,26,27) | 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 | 43 | 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 | |
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