BindingDB logo
myBDB logout

null

SMILES: CC(C)CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=XVYULSBWZZVYNY-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 = 172808   
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))		BDBM172808
PNG
(US9096559, 42)
Show SMILES CC(C)CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C23H25N3O2S/c1-15(2)12-22(27)25-14-16-5-7-17(8-6-16)23(28)26-20-13-18(9-10-19(20)24)21-4-3-11-29-21/h3-11,13,15H,12,14,24H2,1-2H3,(H,25,27)(H,26,28)
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