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SMILES: COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO

InChI Key: InChIKey=JHVTWDAEILLVIX-IBGZPJMESA-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 = 50375541   
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))
BDBM50375541
PNG
(CHEMBL409860)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 4.09E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375541
PNG
(CHEMBL409860)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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UniChem

Similars

Article
PubMed
n/an/a 1.68E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375541
PNG
(CHEMBL409860)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.55E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair