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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 protein (CFTR)' and Ligand = 'BDBM221979'   
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 protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221979
PNG
(US9303035, 4.2)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1 |r|
Show InChI InChI=1/C22H18ClN5O4S/c1-26-17-15(21(30)27(2)22(26)31)16(12-5-3-4-11(6-12)7-24)28-8-13(9-29)32-19(18(17)28)20-25-14(23)10-33-20/h3-6,10,13,19,29H,8-9H2,1-2H3/t13-,19-/s2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)

More data for this
Ligand-Target Pair