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SMILES: CSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NN

InChI Key: InChIKey=NNUMTNFZUOHXCX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386433   
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))
BDBM50386433
PNG
(CHEMBL2047676)
Show SMILES CSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NN |w:17.18|
Show InChI InChI=1S/C12H16BrN3O2S/c1-19-5-4-15-12(18)10(16-14)7-8-2-3-11(17)9(13)6-8/h2-3,6,17H,4-5,7,14H2,1H3,(H,15,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...


J Med Chem 55: 1731-50 (2012)


Article DOI: 10.1021/jm2016182
BindingDB Entry DOI: 10.7270/Q22F7PHC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50386433
PNG
(CHEMBL2047676)
Show SMILES CSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NN |w:17.18|
Show InChI InChI=1S/C12H16BrN3O2S/c1-19-5-4-15-12(18)10(16-14)7-8-2-3-11(17)9(13)6-8/h2-3,6,17H,4-5,7,14H2,1H3,(H,15,18)
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 5.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...


J Med Chem 55: 1731-50 (2012)


Article DOI: 10.1021/jm2016182
BindingDB Entry DOI: 10.7270/Q22F7PHC
More data for this
Ligand-Target Pair