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BDBM50353596 CHEMBL1828986

SMILES: CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O

InChI Key: InChIKey=AONNGYBECNOVTK-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50353596   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay


J Med Chem 54: 6761-70 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50353596
PNG
(CHEMBL1828986)
Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(C)O
Show InChI InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.81E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


J Med Chem 54: 6761-70 (2011)

More data for this
Ligand-Target Pair