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SMILES: Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O

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 9 hits for monomerid = 50573197   
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
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.30n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 12n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PCAF (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 11n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CECR2 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.760n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD7 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.470n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD9 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 44n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GCN5L2 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair