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PubMed code 26731131

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 PCAF


(Homo sapiens)
BDBM50150060
PNG
(CHEMBL3775692)
Show SMILES Cc1cc(=O)n(C)c2cc(NS(C)(=O)=O)ccc12
Show InChI InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3
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MMDB

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.10E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged PCAF (715 to 831 residues) (unknown origin) expressed in Escherichia coli Rosetta cells by isothermal titra...


J Med Chem 59: 1648-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01719
BindingDB Entry DOI: 10.7270/Q27D2X0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50150068
PNG
(CHEMBL3775323)
Show SMILES CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1
Show InChI InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged PCAF (715 to 831 residues) (unknown origin) expressed in Escherichia coli Rosetta cells by isothermal titra...


J Med Chem 59: 1648-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01719
BindingDB Entry DOI: 10.7270/Q27D2X0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%