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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase KAT2B' and Ligand = 'BDBM50398244'   
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
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of biotinylated Tat-KAc50 peptide binding to PCAF


J Med Chem 55: 9393-413 (2012)


Article DOI: 10.1021/jm300915b
BindingDB Entry DOI: 10.7270/Q25B03NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
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CHEMBL
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MCE
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PC cid
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PDB
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PDB
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated Tat-AcK50 binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) expressed in Escherichia coli BL21(...


J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
PDB
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CHEMBL
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MCE
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PC sid
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PDB
n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)