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BDBM50255102 CHEMBL481211::N-(2-aminophenyl)-4-((6-(pyridin-3-yl)pyrazin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2cncc(n2)-c2cccnc2)cc1

InChI Key: InChIKey=RZSPCZCEYFAKGF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255102   
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))
BDBM50255102
PNG
(CHEMBL481211 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cncc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)12-27-22-15-26-14-21(28-22)18-4-3-11-25-13-18/h1-11,13-15H,12,24H2,(H,27,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair