BDBM14798 Pyrazole carboxylic ester 21::ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate

SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=MSYGAHOHLUJIKV-UHFFFAOYSA-N

Data  6 IC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 14798   

LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 33nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...More data for this Ligand-Target Pair
LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 21nMAssay Description:Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 33nMAssay Description:Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 21nMAssay Description:Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 33nMAssay Description:Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14798(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Affinity DataIC50: 21nMAssay Description:Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate...More data for this Ligand-Target Pair