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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50042993   
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))
BDBM50434312
PNG
(CHEMBL2386374)
Show SMILES Cn1c2c3[C@@H](Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)C([O-])=O)c1ccc(Br)o1 |r|
Show InChI InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)/p-1/t23-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of wild type human CFTR chloride conductance expressed in forskolin-stimulated rat FRT cells by short-circuit current analysis in presence...


ACS Med Chem Lett 4: 456-459 (2013)


Article DOI: 10.1021/ml400069k
BindingDB Entry DOI: 10.7270/Q29888DW
More data for this
Ligand-Target Pair