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BDBM50375545 CHEMBL260080

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

InChI Key: InChIKey=LPSYBPXEZGCRHK-INIZCTEOSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50375545   
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 1


(Rattus norvegicus)
BDBM50375545
PNG
(CHEMBL260080)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a 2.11E+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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375545
PNG
(CHEMBL260080)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a 4.67E+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))
BDBM50375545
PNG
(CHEMBL260080)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.84E+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