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BDBM50353587 CHEMBL12543

SMILES: CN1CCCC1=O

InChI Key: InChIKey=SECXISVLQFMRJM-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 7 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50353587   
Target
(Institution)
LigandTarget
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
pHTemp
°C
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50353587
PNG
(CHEMBL12543)
Show SMILES CN1CCCC1=O
Show InChI InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
n/an/a 2.30E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CREBBP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50353587
PNG
(CHEMBL12543)
Show SMILES CN1CCCC1=O
Show InChI InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 3.40E+7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2B


Citation and Details
More data for this
Ligand-Target Pair