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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 424.7
BDBM200858
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
1
hit in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Intermediate conductance calcium-activated potassium channel protein 4
(Homo sapiens (Human))
BDBM200858
(US9533999, i-15)
Show SMILES
Fc1ccc(CN2C(=O)CS(=O)(=O)c3cc(Cl)cnc23)cc1OC(F)(F)F
Show InChI
InChI=1S/C15H9ClF4N2O4S/c16-9-4-12-14(21-5-9)22(13(23)7-27(12,24)25)6-8-1-2-10(17)11(3-8)26-15(18,19)20/h1-5H,6-7H2
PDB
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/a
n/a
92
n/a
n/a
n/a
n/a
n/a
n/a
Boehringer Ingelheim International GmbH
US Patent
Assay Description
HEK293 cells over-expressing human KCa3.1 are used to measure the effects of compounds in inhibiting the KCa3.1 channel function. The assay is based ...
US Patent
US9533999 (2017)
BindingDB Entry DOI:
10.7270/Q21V5C4S
More data for this
Ligand-Target Pair