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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50189903   
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 deacetylase 1


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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Article
PubMed
n/an/a 29n/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)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
HDAC2: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC2-Kinetic I...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9W2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
HDAC1: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. Trypsin Coupled...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9W2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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Article
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n/an/a 62n/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)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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Article
PubMed
n/an/a 1.09E+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)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50189903
PNG
(CHEMBL3828396 | US11572368, Compound 54)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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CHEMBL
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US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a


TBA

Assay Description
HDAC3: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC3-Kinetic I...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9W2W
More data for this
Ligand-Target Pair