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BDBM14794 Pyrazole carboxylic ester 17::ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC)cc1

InChI Key: InChIKey=ZDSXCFSUGVAQSB-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 14794   
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
Phosphodiesterase Type 4 (PDE4D)


(Homo sapiens (human))
BDBM14794
PNG
(Pyrazole carboxylic ester 17 | ethyl 1-(4-methoxyp...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
PDB
MMDB

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 2.00E+3n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14794
PNG
(Pyrazole carboxylic ester 17 | ethyl 1-(4-methoxyp...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.90E+3n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)