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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50290126'   
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))
BDBM50290126
PNG
(CHEMBL3746133)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccsc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...


J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50290126
PNG
(CHEMBL3746133)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccsc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by for...


Eur J Med Chem 144: 179-200 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.030
BindingDB Entry DOI: 10.7270/Q20K2C4K
More data for this
Ligand-Target Pair