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SMILES: Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=JUFMUTAMQLDDPW-VAWYXSNFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50350834   
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))
BDBM50350834
PNG
(CHEMBL1819259)
Show SMILES Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 |(-6.03,-13.03,;-4.7,-12.25,;-3.29,-12.87,;-2.26,-11.72,;-3.04,-10.39,;-2.42,-8.98,;-4.56,-10.72,;-5.71,-9.69,;-7.22,-10.01,;-8,-8.67,;-9.51,-8.34,;-9.98,-6.87,;-8.94,-5.73,;-7.44,-6.05,;-6.96,-7.52,;-5.55,-8.15,;-4.21,-7.37,;-2.88,-8.14,;-1.54,-7.37,;-.21,-8.14,;1.12,-7.37,;1.12,-5.82,;2.45,-5.05,;3.79,-5.82,;5.12,-5.04,;6.46,-5.81,;7.79,-5.03,;7.78,-3.49,;9.12,-5.8,;10.45,-5.02,;3.79,-7.37,;2.46,-8.14,)|
Show InChI InChI=1S/C25H26N4O3/c1-16-24(17(2)32-29-16)25-21(20-5-3-4-6-22(20)27-25)13-14-26-15-19-9-7-18(8-10-19)11-12-23(30)28-31/h3-12,26-27,31H,13-15H2,1-2H3,(H,28,30)/b12-11+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 54: 4752-72 (2011)


Article DOI: 10.1021/jm200388e
BindingDB Entry DOI: 10.7270/Q23N24DW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350834
PNG
(CHEMBL1819259)
Show SMILES Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 |(-6.03,-13.03,;-4.7,-12.25,;-3.29,-12.87,;-2.26,-11.72,;-3.04,-10.39,;-2.42,-8.98,;-4.56,-10.72,;-5.71,-9.69,;-7.22,-10.01,;-8,-8.67,;-9.51,-8.34,;-9.98,-6.87,;-8.94,-5.73,;-7.44,-6.05,;-6.96,-7.52,;-5.55,-8.15,;-4.21,-7.37,;-2.88,-8.14,;-1.54,-7.37,;-.21,-8.14,;1.12,-7.37,;1.12,-5.82,;2.45,-5.05,;3.79,-5.82,;5.12,-5.04,;6.46,-5.81,;7.79,-5.03,;7.78,-3.49,;9.12,-5.8,;10.45,-5.02,;3.79,-7.37,;2.46,-8.14,)|
Show InChI InChI=1S/C25H26N4O3/c1-16-24(17(2)32-29-16)25-21(20-5-3-4-6-22(20)27-25)13-14-26-15-19-9-7-18(8-10-19)11-12-23(30)28-31/h3-12,26-27,31H,13-15H2,1-2H3,(H,28,30)/b12-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.12E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by radioligand binding assay


J Med Chem 54: 4752-72 (2011)


Article DOI: 10.1021/jm200388e
BindingDB Entry DOI: 10.7270/Q23N24DW
More data for this
Ligand-Target Pair