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BDBM50180981 CHEMBL3818026

SMILES: Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1

InChI Key: InChIKey=FRCXFPIXQDOLCD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50180981   
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


(Homo sapiens (Human))
BDBM50180981
PNG
(CHEMBL3818026)
Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H27N3O5/c1-16-24(17(2)33-28-16)19-13-20(25(31)18-9-5-3-6-10-18)15-21(14-19)26-22(29)11-7-4-8-12-23(30)27-32/h3,5-6,9-10,13-15,32H,4,7-8,11-12H2,1-2H3,(H,26,29)(H,27,30)
PDB
MMDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay


Bioorg Med Chem Lett 26: 2931-2935 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50180981
PNG
(CHEMBL3818026)
Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H27N3O5/c1-16-24(17(2)33-28-16)19-13-20(25(31)18-9-5-3-6-10-18)15-21(14-19)26-22(29)11-7-4-8-12-23(30)27-32/h3,5-6,9-10,13-15,32H,4,7-8,11-12H2,1-2H3,(H,26,29)(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay


Bioorg Med Chem Lett 26: 2931-2935 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V
More data for this
Ligand-Target Pair