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SMILES: Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=WBJOOHAZLNMRLC-BJMVGYQFSA-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 = 375734   
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 1


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
PDB
MMDB

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n/an/a<1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2736T75
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
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n/an/a 3.00E+3n/an/an/an/an/an/a



GSK



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2736T75
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
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n/an/a<1.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 49: 1202-6 (2006)


BindingDB Entry DOI: 10.7270/Q2JD504D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
PDB
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n/an/a<1.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 49: 1202-6 (2006)


BindingDB Entry DOI: 10.7270/Q2JD504D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 49: 1202-6 (2006)


BindingDB Entry DOI: 10.7270/Q2JD504D
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM375734
PNG
(US10301323, Compound B4 | US9908899, Compound B4)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)30-12-11-28-14-15(13-26-28)5-10-20(29)27-19-4-2-1-3-18(19)25/h1-10,13-14H,11-12,25H2,(H,27,29)/b10-5+
PDB

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UniProtKB/SwissProt

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PC sid
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n/an/a<1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2736T75
More data for this
Ligand-Target Pair