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SMILES: COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1

InChI Key: InChIKey=ONTYRRHLBFPVPK-UHFFFAOYSA-N

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 = 50495777   
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 4B


(Homo sapiens (Human))
BDBM50495777
PNG
(CHEMBL3114948)
Show SMILES COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1
Show InChI InChI=1S/C22H19F2N3O5S/c1-32-18-7-5-13(9-16(18)24)21-26-17-3-2-8-33(30,31)20(17)22(27-21)25-14-6-4-12(10-19(28)29)15(23)11-14/h4-7,9,11H,2-3,8,10H2,1H3,(H,28,29)(H,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50495777
PNG
(CHEMBL3114948)
Show SMILES COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(O)=O)c(F)c2)n1
Show InChI InChI=1S/C22H19F2N3O5S/c1-32-18-7-5-13(9-16(18)24)21-26-17-3-2-8-33(30,31)20(17)22(27-21)25-14-6-4-12(10-19(28)29)15(23)11-14/h4-7,9,11H,2-3,8,10H2,1H3,(H,28,29)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/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