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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4
BDBM509775

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))
BDBM509775
PNG
(US11364246, Example 93.2 | US20200361871A1, Exampl...)
Show SMILES CC(C)(C)c1ccc(CC(=O)Nc2ccnc(c2)C(=O)NC2CCC[C@@H]2O)cc1O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 40n/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))
BDBM509775
PNG
(US11364246, Example 93.2 | US20200361871A1, Exampl...)
Show SMILES CC(C)(C)c1ccc(CC(=O)Nc2ccnc(c2)C(=O)NC2CCC[C@@H]2O)cc1O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 40n/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