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BDBM396882 US9981950, Example 89

SMILES: Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F

InChI Key: InChIKey=QLHBDCCSPGVPTO-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 396882   
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))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/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))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/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))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/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