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PDB code 4DON

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4

  (123/123 = 100%)
(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)


Article DOI: 10.1021/jm3010515
BindingDB Entry DOI: 10.7270/Q20C4WXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4

  (123/123 = 100%)
(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
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n/an/an/a 3.89E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 1% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4

  (123/123 = 100%)
(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
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n/an/an/a 1.70E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4

  (123/123 = 100%)
(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

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n/an/an/a 2.04E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 0.5% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4

  (123/123 = 100%)
(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
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PubMed
n/an/an/a 1.02E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 3% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output