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SMILES: COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(=O)NCC(C)(C)C)cc2)n1

InChI Key: InChIKey=DLEDMPXFMYUAGZ-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 = 50495773   
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))
BDBM50495773
PNG
(CHEMBL3114921)
Show SMILES COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(=O)NCC(C)(C)C)cc2)n1
Show InChI InChI=1S/C27H31FN4O4S/c1-27(2,3)16-29-23(33)14-17-7-10-19(11-8-17)30-26-24-21(6-5-13-37(24,34)35)31-25(32-26)18-9-12-22(36-4)20(28)15-18/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,33)(H,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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))
BDBM50495773
PNG
(CHEMBL3114921)
Show SMILES COc1ccc(cc1F)-c1nc2CCCS(=O)(=O)c2c(Nc2ccc(CC(=O)NCC(C)(C)C)cc2)n1
Show InChI InChI=1S/C27H31FN4O4S/c1-27(2,3)16-29-23(33)14-17-7-10-19(11-8-17)30-26-24-21(6-5-13-37(24,34)35)31-25(32-26)18-9-12-22(36-4)20(28)15-18/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,33)(H,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/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