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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 = 'BDBM50353350'   
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))
BDBM50353350
PNG
(CHEMBL1831074)
Show SMILES CCOC(=O)c1ccc2OC(c3ccc(C)o3)c3n(c(-c4ccccc4)c4c3n(C)c(=O)n(C)c4=O)-c2c1
Show InChI InChI=1S/C29H25N3O6/c1-5-36-28(34)18-12-14-20-19(15-18)32-23(17-9-7-6-8-10-17)22-24(30(3)29(35)31(4)27(22)33)25(32)26(38-20)21-13-11-16(2)37-21/h6-15,26H,5H2,1-4H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


J Med Chem 54: 5468-77 (2011)


Article DOI: 10.1021/jm200505e
BindingDB Entry DOI: 10.7270/Q2280809
More data for this
Ligand-Target Pair