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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 = 'BDBM50234934'   
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))
BDBM50234934
PNG
(CHEMBL4095646)
Show SMILES Cn1ncc(NCc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C12H12ClN3O/c1-16-12(17)11(13)10(8-15-16)14-7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to PCAF (unknown origin) N-terminal bromodomain by TR-FRET assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234934
PNG
(CHEMBL4095646)
Show SMILES Cn1ncc(NCc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C12H12ClN3O/c1-16-12(17)11(13)10(8-15-16)14-7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay


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