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3 similar compounds to monomer 50432475

Compile data set for download or QSAR
Wt: 423.5
BDBM50432473
Wt: 485.5
BDBM50432474
Wt: 449.5
BDBM50432477

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50432473,50432474,50432477   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432473
PNG
(CHEMBL2349462)
Show SMILES CCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432477
PNG
(CHEMBL2349359)
Show SMILES O=C(Nc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C19H19N3O4S3/c23-18(12-4-1-2-5-12)20-15-10-13(16-11-28-19(24)21-16)7-8-14(15)22-29(25,26)17-6-3-9-27-17/h3,6-12,22H,1-2,4-5H2,(H,20,23)(H,21,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432474
PNG
(CHEMBL2349363)
Show SMILES O=C(CCc1ccccc1)Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C22H19N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h1-7,10-14,25H,8-9H2,(H,23,26)(H,24,27)
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Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair