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BDBM50220235 (S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-phenylpiperazine-1-carboxamide::CHEMBL237539

SMILES: C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N

InChI Key: InChIKey=GQGFFOCBPUYUGS-KRWDZBQOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220235   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50220235
PNG
((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C24H26N6O2/c1-17-16-29(13-14-30(17)24(32)27-19-7-3-2-4-8-19)22-12-11-18(15-26-22)23(31)28-21-10-6-5-9-20(21)25/h2-12,15,17H,13-14,16,25H2,1H3,(H,27,32)(H,28,31)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 17: 5300-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.023
BindingDB Entry DOI: 10.7270/Q2571BQH
More data for this
Ligand-Target Pair