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SMILES: C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1

InChI Key: InChIKey=XYVDMFWMULOJFV-ZWKQNVPVSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50317969   
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 8


(Homo sapiens (Human))
BDBM50317969
PNG
((S)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r|
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 16n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50317969
PNG
((S)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r|
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m0/s1
PDB
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/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))
BDBM50317969
PNG
((S)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r|
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/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