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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.3
BDBM50561333

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

Found 1 hit 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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50561333
PNG
(CHEMBL4791435)
Show SMILES COc1ccc2n(C)c3CCN(Cc3c2c1)C(=O)c1cc([nH]n1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a


TBA

Assay Description
Potentiation of human CFTR F508 deletion mutant expressed in rat FRT cells coexpressing HS-YFP assessed as increase in iodide influx pre-incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01050
BindingDB Entry DOI: 10.7270/Q2639TFP
More data for this
Ligand-Target Pair