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SMILES: [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50580094   
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))
BDBM50580094
PNG
(CHEMBL5082294)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50580094
PNG
(CHEMBL5082294)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair