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SMILES: COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1

InChI Key:

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 5 hits for monomerid = 50571550   
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
CREB-binding protein


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 159n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BromoELEC...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 285n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 265n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair