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BDBM50424997 CHEMBL2312167

SMILES: Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO

InChI Key: InChIKey=XBQPEXDCROFSOE-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50424997   
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 11


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 997n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 833n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 944n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair