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SMILES: CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1

InChI Key: InChIKey=WKCSGYFUTFMTAS-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 160528   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystic fibrosis transmembrane conductance regulator [1-507,509-1480]


(Homo sapiens (Human))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab, LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
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))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
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 [1-507,509-1480]


(Homo sapiens (Human))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
PDB

UniProtKB/SwissProt

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



Flatley Discovery Lab, LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair