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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase KAT2B' and Ligand = 'BDBM50234930'   
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))
BDBM50234930
PNG
(CHEMBL4070058)
Show SMILES NCCCNCc1ccc(NCCCN)[n+]([O-])c1
Show InChI InChI=1S/C12H23N5O/c13-5-1-7-15-9-11-3-4-12(17(18)10-11)16-8-2-6-14/h3-4,10,15-16H,1-2,5-9,13-14H2
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FITC-labeled Tat peptide binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) after 6 hrs by fluorescence polar...


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
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234930
PNG
(CHEMBL4070058)
Show SMILES NCCCNCc1ccc(NCCCN)[n+]([O-])c1
Show InChI InChI=1S/C12H23N5O/c13-5-1-7-15-9-11-3-4-12(17(18)10-11)16-8-2-6-14/h3-4,10,15-16H,1-2,5-9,13-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 900n/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