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SMILES: Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1

InChI Key: InChIKey=ABPFJJGEOBFFPG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50189907   
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 deacetylase 3


(Homo sapiens (Human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
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PubMed
n/an/a 6.26E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
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PubMed
n/an/a 6.56E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 5.59E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair