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BDBM50128689 2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-propan-2-ol::CHEMBL276559

SMILES: CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1

InChI Key: InChIKey=BVXOJUBMZXXUTK-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50128689   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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PC sid
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2.64E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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4.15E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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PubMed
n/an/a 55n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair