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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 = 'BDBM160531'   
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))
BDBM160531
PNG
(US10280160, Example 24. | US9682969, 23 | US968296...)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OCC3CC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C29H25ClN4O4/c1-17-31-25-11-8-21(13-26(25)38-17)33(2)27(35)15-34-29(36)24-14-22(37-16-18-6-7-18)9-10-23(24)28(32-34)19-4-3-5-20(30)12-19/h3-5,8-14,18H,6-7,15-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



Plexxikon



Assay Description
Fisher Rat Thyroid (FRT) cells stably expressing both human F508del CFTR and a halide-sensitive yellow fluorescent protein (YFP-H148Q/I152L 25,22) (G...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


BindingDB Entry DOI: 10.7270/Q2M047SX
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM160531
PNG
(US10280160, Example 24. | US9682969, 23 | US968296...)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OCC3CC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C29H25ClN4O4/c1-17-31-25-11-8-21(13-26(25)38-17)33(2)27(35)15-34-29(36)24-14-22(37-16-18-6-7-18)9-10-23(24)28(32-34)19-4-3-5-20(30)12-19/h3-5,8-14,18H,6-7,15-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



Plexxikon



Assay Description
Fisher Rat Thyroid (FRT) cells stably expressing both human F508del CFTR and a halide-sensitive yellow fluorescent protein (YFP-H148Q/I152L 25,22) (G...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


BindingDB Entry DOI: 10.7270/Q2M047SX
More data for this
Ligand-Target Pair