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BDBM14785 Pyrazole carboxylic ester 8::ethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1ccccc1

InChI Key: InChIKey=BUIZDUYEIRRDAV-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 5 PDB IDs contain this monomer as substructures.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14785   
Target
(Institution)
LigandTarget
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))
BDBM14785
PNG
(Pyrazole carboxylic ester 8 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 270n/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-...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14785
PNG
(Pyrazole carboxylic ester 8 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 310n/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-...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)