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BDBM50255423 CHEMBL520601::N-(2-aminophenyl)-4-((4-(3-(hydroxymethyl)isoxazol-5-yl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc(CO)no2)cc1

InChI Key: InChIKey=OIKDXNZYJAWKRS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255423   
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))
BDBM50255423
PNG
(CHEMBL520601 | N-(2-aminophenyl)-4-((4-(3-(hydroxy...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc(CO)no2)cc1
Show InChI InChI=1S/C22H20N6O3/c23-17-3-1-2-4-18(17)26-21(30)15-7-5-14(6-8-15)12-25-22-24-10-9-19(27-22)20-11-16(13-29)28-31-20/h1-11,29H,12-13,23H2,(H,26,30)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 210n/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