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BDBM50373675 CHEMBL404054

SMILES: Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(NC2Cc3ccccc3C2)n1

InChI Key: InChIKey=WEGZAQQQNAZHTD-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373675   
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))
BDBM50373675
PNG
(CHEMBL404054)
Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C26H26N8O/c27-21-7-3-4-8-22(21)31-23(35)17-11-9-16(10-12-17)15-29-25-32-24(28)33-26(34-25)30-20-13-18-5-1-2-6-19(18)14-20/h1-12,20H,13-15,27H2,(H,31,35)(H4,28,29,30,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair