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BDBM172834 US9096559, 70

SMILES: Cc1cscc1-c1ccc(N)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1

InChI Key: InChIKey=RGJJJKIMWOXSNE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172834   
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))
BDBM172834
PNG
(US9096559, 70)
Show SMILES Cc1cscc1-c1ccc(N)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
Show InChI InChI=1S/C24H22N4OS/c1-16-14-30-15-21(16)19-6-7-22(25)23(12-19)28-24(29)18-4-2-17(3-5-18)13-27-20-8-10-26-11-9-20/h2-12,14-15H,13,25H2,1H3,(H,26,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/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