BDBM50503946 CHEMBL4524198
SMILES: COc1ccc(cn1)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
InChI Key: InChIKey=QNCXKDYQAJKKNH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50503946 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)) | BDBM50503946
(CHEMBL4524198)Show SMILES COc1ccc(cn1)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H25N7O4/c1-15-19-9-17(16-5-6-21(34-3)25-11-16)10-20(22(19)29-14-28-15)35-8-4-7-31(2)24-26-12-18(13-27-24)23(32)30-33/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32) | 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 | 2.5 | 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)) | BDBM50503946
(CHEMBL4524198)Show SMILES COc1ccc(cn1)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H25N7O4/c1-15-19-9-17(16-5-6-21(34-3)25-11-16)10-20(22(19)29-14-28-15)35-8-4-7-31(2)24-26-12-18(13-27-24)23(32)30-33/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32) | 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 | 213 | 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 | |
Search and Browse
