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BDBM50255857 CHEMBL481556::N-(2-aminophenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1cccc(CNc2nccc(n2)-c2cccnc2)c1

InChI Key: InChIKey=ISRRQNFYEOHNJY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255857   
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))
BDBM50255857
PNG
(CHEMBL481556 | N-(2-aminophenyl)-3-((4-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1cccc(CNc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C23H20N6O/c24-19-8-1-2-9-21(19)28-22(30)17-6-3-5-16(13-17)14-27-23-26-12-10-20(29-23)18-7-4-11-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/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