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SMILES: OC1CCC(=CC1)c1ccc(cc1C(F)(F)F)C1=NNC(=O)OC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 568680   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM568680
PNG
((rac)-5-[4′-Hydroxy-2-(trifluoromethyl)-2...)
Show SMILES OC1CCC(=CC1)c1ccc(cc1C(F)(F)F)C1=NNC(=O)OC1 |c:4,t:19|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determina...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BTW
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM568680
PNG
((rac)-5-[4′-Hydroxy-2-(trifluoromethyl)-2...)
Show SMILES OC1CCC(=CC1)c1ccc(cc1C(F)(F)F)C1=NNC(=O)OC1 |c:4,t:19|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determina...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280BTW
More data for this
Ligand-Target Pair