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SMILES: CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FABOZFZSWJBLAK-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 3 hits for monomerid = 396830   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396830
PNG
(US9981950, Example 37)
Show SMILES CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.84n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...


Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396830
PNG
(US9981950, Example 37)
Show SMILES CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD


Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM396830
PNG
(US9981950, Example 37)
Show SMILES CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair