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SMILES: CNc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=AJLGDOFQCAKQQI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50078753   
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))
BDBM50078753
PNG
(CHEMBL3415449)
Show SMILES CNc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C8H10N2O2/c1-9-7-4-2-6(3-5-7)8(11)10-12/h2-5,9,12H,1H3,(H,10,11)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50078753
PNG
(CHEMBL3415449)
Show SMILES CNc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C8H10N2O2/c1-9-7-4-2-6(3-5-7)8(11)10-12/h2-5,9,12H,1H3,(H,10,11)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.23E+4n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50078753
PNG
(CHEMBL3415449)
Show SMILES CNc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C8H10N2O2/c1-9-7-4-2-6(3-5-7)8(11)10-12/h2-5,9,12H,1H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.92E+4n/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50078753
PNG
(CHEMBL3415449)
Show SMILES CNc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C8H10N2O2/c1-9-7-4-2-6(3-5-7)8(11)10-12/h2-5,9,12H,1H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair