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BDBM117192 US8648092, 123

SMILES: CCCc1nc2cc(\C=C\C(=O)NO)ccn2c1CNC(C)(C)C

InChI Key: InChIKey=VHAHCGJFDCSJID-BQYQJAHWSA-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 = 117192   
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))
BDBM117192
PNG
(US8648092, 123)
Show SMILES CCCc1nc2cc(\C=C\C(=O)NO)ccn2c1CNC(C)(C)C
Show InChI InChI=1S/C18H26N4O2/c1-5-6-14-15(12-19-18(2,3)4)22-10-9-13(11-16(22)20-14)7-8-17(23)21-24/h7-11,19,24H,5-6,12H2,1-4H3,(H,21,23)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/a7.525



Mei Pharma Inc

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US8648092 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7TBG
More data for this
Ligand-Target Pair