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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 = 'BDBM221981'   
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))
BDBM221981
PNG
(US9303035, 5.1)
Show SMILES C[C@@H]1COC(c2nc(C)cs2)c2n1c(-c1ccccc1)c1c2n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)13(2)10-29-19/h5-9,11,13,19H,10H2,1-4H3/t13-,19?/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.24n/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