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BDBM14789 Pyrazole carboxylic ester 12::ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PHEZYPUTJBTEKX-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 14789   
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))
BDBM14789
PNG
(Pyrazole carboxylic ester 12 | ethyl 1-[3,5-bis(tr...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-4-26-14(25)13-8(2)23-24(9(13)3)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7H,4H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70E+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
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14789
PNG
(Pyrazole carboxylic ester 12 | ethyl 1-[3,5-bis(tr...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-4-26-14(25)13-8(2)23-24(9(13)3)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7H,4H2,1-3H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+5n/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
3D
3D Structure (docked)