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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 = 'BDBM50353348'   
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))
BDBM50353348
PNG
(CHEMBL1831072)
Show SMILES Cc1ccc(o1)C1Oc2cc(c(Cl)cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C26H19ClN4O6/c1-13-9-10-18(36-13)24-23-22-20(25(32)29(3)26(33)28(22)2)21(14-7-5-4-6-8-14)30(23)17-11-15(27)16(31(34)35)12-19(17)37-24/h4-12,24H,1-3H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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