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SMILES: CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21

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 8 hits for monomerid = 50586215   
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 4


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD1 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD3-BD1 domain (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length BRD2-BD2 (E348 to D455) expressed in bacterial system assessed as dissociation constant by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 325n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length BRD3-BD2 (G306 to P416) expressed in bacterial system assessed as dissociation constant by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 775n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length BRD4-BD2 (K333 to E460 residues) expressed in bacterial system assessed as dissociation constant by BROMOsca...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD2-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair