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SMILES: COc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1

InChI Key: InChIKey=NSYBHEMAWIFLOF-UHFFFAOYSA-N

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 = 50495788   
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 4D


(Homo sapiens (Human))
BDBM50495788
PNG
(CHEMBL3114954)
Show SMILES COc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1
Show InChI InChI=1S/C22H20FN3O5S/c1-31-16-8-5-13(6-9-16)21-25-18-3-2-10-32(29,30)20(18)22(26-21)24-15-7-4-14(11-19(27)28)17(23)12-15/h4-9,12H,2-3,10-11H2,1H3,(H,27,28)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of full-length human PDE4D2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50495788
PNG
(CHEMBL3114954)
Show SMILES COc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1
Show InChI InChI=1S/C22H20FN3O5S/c1-31-16-8-5-13(6-9-16)21-25-18-3-2-10-32(29,30)20(18)22(26-21)24-15-7-4-14(11-19(27)28)17(23)12-15/h4-9,12H,2-3,10-11H2,1H3,(H,27,28)(H,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of full-length human PDE4B2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair