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SMILES: FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1

InChI Key: InChIKey=UQVNCGIZTSUQOC-UHFFFAOYSA-N

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 6 hits for monomerid = 50346559   
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 KAT2B


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.55E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
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Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
PDB
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n/an/a 5.92E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 8.74E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
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Similars

n/an/a 2.85E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 1.30E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair