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SMILES: CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1

InChI Key: InChIKey=WPZITEXDAIWCGF-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 3 hits for monomerid = 14784   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B [316-320,321-700,S319G,N320S,N321H,T322M]


(Homo sapiens (Human))
BDBM14784
PNG
(Pyrazole carboxylic ester 7 | cid_707658 | ethyl 3...)
Show SMILES CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.50E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM14784
PNG
(Pyrazole carboxylic ester 7 | cid_707658 | ethyl 3...)
Show SMILES CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 6.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D [372-376,381-715,S375G,I381V,S383G,G384S,V385H,K386M)


(Homo sapiens (Human))
BDBM14784
PNG
(Pyrazole carboxylic ester 7 | cid_707658 | ethyl 3...)
Show SMILES CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair