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BDBM50485504 CHEMBL2069572

SMILES: COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1

InChI Key: InChIKey=IFHVJVREDLRSPN-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485504   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50485504
PNG
(CHEMBL2069572)
Show SMILES COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C27H26ClN7O2S2/c1-15-22(38-25(29-15)32-24(36)27(2,3)4)21-23(35-14-19(33-34-35)16-9-7-6-8-10-16)39-26(31-21)30-18-13-17(28)11-12-20(18)37-5/h6-14H,1-5H3,(H,30,31)(H,29,32,36)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells stimulated forskolin and potentiator genistein with assessed as iodide influ...


Bioorg Med Chem 20: 5247-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.046
BindingDB Entry DOI: 10.7270/Q2XP77SR
More data for this
Ligand-Target Pair