new BindingDB logo
myBDB logout

BDBM50255379 CHEMBL520084::N-(2-aminophenyl)-4-((4-(thiazol-2-yl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2nccs2)cc1

InChI Key: InChIKey=LXFJTNPLHVCZFR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255379   
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))
BDBM50255379
PNG
(CHEMBL520084 | N-(2-aminophenyl)-4-((4-(thiazol-2-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2nccs2)cc1
Show InChI InChI=1S/C21H18N6OS/c22-16-3-1-2-4-17(16)26-19(28)15-7-5-14(6-8-15)13-25-21-24-10-9-18(27-21)20-23-11-12-29-20/h1-12H,13,22H2,(H,26,28)(H,24,25,27)
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 140n/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