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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 = 'BDBM50234928'   
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))
BDBM50234928
PNG
(CHEMBL4063947 | US10239861, Example 2)
Show SMILES CN1CCC(CC1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12/h7-8,14H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.22E+3n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...


J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50234928
PNG
(CHEMBL4063947 | US10239861, Example 2)
Show SMILES CN1CCC(CC1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12/h7-8,14H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.58E+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