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SMILES: Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1

InChI Key: InChIKey=LGYPNWMTVBKIJM-FOCLMDBBSA-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 = 50317951   
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 6


(Homo sapiens (Human))
BDBM50317951
PNG
(CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317951
PNG
(CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317951
PNG
(CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair