BindingDB logo
myBDB logout

null

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1)-c1ccccc1

InChI Key: InChIKey=KEMBKULKCMPONW-UHFFFAOYSA-N

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 = 172818   
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))		BDBM172818
PNG
(US9096559, 52)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1)-c1ccccc1
Show InChI InChI=1S/C27H24N4O2/c28-24-11-10-23(21-4-2-1-3-5-21)17-25(24)31-27(33)22-8-6-20(7-9-22)18-30-26(32)16-19-12-14-29-15-13-19/h1-15,17H,16,18,28H2,(H,30,32)(H,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...

US Patent US9096559 (2015)


BindingDB Entry DOI: 10.7270/Q2K07317
More data for this
Ligand-Target Pair