BindingDB logo
myBDB logout

BDBM50527243 CHEMBL4458272::US10829446, Compound 153

SMILES: Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F

InChI Key: InChIKey=ZKGQTSHJCCJMGL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527243   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone acetyltransferase KAT6A


(Homo sapiens)
BDBM50527243
PNG
(CHEMBL4458272 | US10829446, Compound 153)
Show SMILES Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H15FN2O4S/c1-12-9-13(16-6-4-8-25-16)11-14(10-12)18(22)20-21-26(23,24)17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A


(Homo sapiens)
BDBM50527243
PNG
(CHEMBL4458272 | US10829446, Compound 153)
Show SMILES Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H15FN2O4S/c1-12-9-13(16-6-4-8-25-16)11-14(10-12)18(22)20-21-26(23,24)17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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
More data for this
Ligand-Target Pair