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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.3
BDBM509755

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Anoctamin-1


(Homo sapiens (Human))
BDBM509755
PNG
(4-[[2-(2,5-Difluorophenyl)acetyl]amino]-N-(4-fluor...)
Show SMILES Fc1ccc(F)c(CC(=O)Nc2ccnc(c2)C(=O)NC23CC(F)(C2)CC3)c1 |(9.22,-.05,;7.89,-.82,;7.89,-2.36,;6.55,-3.13,;5.22,-2.36,;3.89,-3.13,;5.22,-.82,;3.89,-.05,;2.55,-.82,;2.55,-2.36,;1.22,-.05,;-.11,-.82,;-.11,-2.36,;-1.45,-3.13,;-2.78,-2.36,;-2.78,-.82,;-1.45,-.05,;-4.12,-.05,;-4.12,1.49,;-5.45,-.82,;-6.78,-.05,;-6.94,1.48,;-8.45,1.8,;-9.22,3.13,;-8.03,.28,;-9.22,.47,;-8.19,-.68,;6.55,-.05,)|
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 540n/an/an/an/a


TBA

Assay Description
Cell Culture and PreparationFisher rat thyroid (FRT) cells stably expressing human TMEM16A (TMEM16Aabc variant; Dr Luis Galietta, Insituto Giannina, ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K8C
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM509755
PNG
(4-[[2-(2,5-Difluorophenyl)acetyl]amino]-N-(4-fluor...)
Show SMILES Fc1ccc(F)c(CC(=O)Nc2ccnc(c2)C(=O)NC23CC(F)(C2)CC3)c1 |(9.22,-.05,;7.89,-.82,;7.89,-2.36,;6.55,-3.13,;5.22,-2.36,;3.89,-3.13,;5.22,-.82,;3.89,-.05,;2.55,-.82,;2.55,-2.36,;1.22,-.05,;-.11,-.82,;-.11,-2.36,;-1.45,-3.13,;-2.78,-2.36,;-2.78,-.82,;-1.45,-.05,;-4.12,-.05,;-4.12,1.49,;-5.45,-.82,;-6.78,-.05,;-6.94,1.48,;-8.45,1.8,;-9.22,3.13,;-8.03,.28,;-9.22,.47,;-8.19,-.68,;6.55,-.05,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 540n/an/an/an/a


TBA

Assay Description
Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZXP
More data for this
Ligand-Target Pair