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BDBM50222414 BML-210::CHEBI:61077::CHEMBL324053

SMILES: Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1

InChI Key: InChIKey=RFLHBLWLFUFFDZ-UHFFFAOYSA-N

Data: 4 IC50

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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 4 hits for monomerid = 50222414   
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


(Homo sapiens (Human))
BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
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CHEMBL
MCE
PC cid
PC sid
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PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract


Bioorg Med Chem Lett 13: 4321-6 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81G8N
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
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CHEMBL
MCE
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Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract by fluorescence plate reader assay


Nat Chem Biol 2: 551-8 (2006)


Article DOI: 10.1038/nchembio815
BindingDB Entry DOI: 10.7270/Q29C718V
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract


Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair