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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50497944'   
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))		BDBM50497944
PNG
(CHEMBL3323418)
Show SMILES COc1ccc(cc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1)[N+]([O-])=O
Show InChI InChI=1S/C22H25N5O4S2/c1-22(2,3)19(28)26-21-23-13-7-5-6-8-16-17(18(13)33-21)25-20(32-16)24-14-11-12(27(29)30)9-10-15(14)31-4/h9-11H,5-8H2,1-4H3,(H,24,25)(H,23,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Correction of defective trafficking of human deltaF508 mutant CFTR protein expressed in FRT epithelial cells coexpressing YFP-H148Q/I152L protein ass...

J Med Chem 57: 6729-38 (2014)


Article DOI: 10.1021/jm5007885
BindingDB Entry DOI: 10.7270/Q2G163TK
More data for this
Ligand-Target Pair