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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 = 'BDBM50353338'   
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))
BDBM50353338
PNG
(CHEMBL1831058)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H19BrN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50353338
PNG
(CHEMBL1831058)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H19BrN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/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