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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase KAT6A [507-778]' and Ligand = 'BDBM50527371'   
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 KAT6A [507-778]


(Homo sapiens)
BDBM50527371
PNG
(CHEMBL4475866 | US10829446, Compound 76)
Show SMILES Cc1cc(cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-n1cc(F)cn1
Show InChI InChI=1S/C17H14F2N4O3S/c1-11-7-13(23-10-12(18)9-20-23)8-15(16(11)19)17(24)21-22-27(25,26)14-5-3-2-4-6-14/h2-10,22H,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527371
PNG
(CHEMBL4475866 | US10829446, Compound 76)
Show SMILES Cc1cc(cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-n1cc(F)cn1
Show InChI InChI=1S/C17H14F2N4O3S/c1-11-7-13(23-10-12(18)9-20-23)8-15(16(11)19)17(24)21-22-27(25,26)14-5-3-2-4-6-14/h2-10,22H,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 119n/an/an/an/an/an/a



MONASH UNIVERSITY; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-im...


US Patent US10829446 (2020)


BindingDB Entry DOI: 10.7270/Q25M68S8
More data for this
Ligand-Target Pair