BindingDB logo
myBDB logout

null

SMILES: CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1

InChI Key: InChIKey=ZTZYWJBULLPCBI-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 4 hits for monomerid = 50491754   
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))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D (78 to 508)


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))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as substrate after 30 mins by plate reader analysis


Bioorg Med Chem Lett 23: 3325-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.104
BindingDB Entry DOI: 10.7270/Q2QF8WSQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/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))
BDBM50491754
PNG
(CHEMBL2385756)
Show SMILES CCCCNC(=O)Cc1ccc(Nc2nc(nc3CCCS(=O)(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-15-26-22(30)17-18-11-13-20(14-12-18)27-25-23-21(10-7-16-33(23,31)32)28-24(29-25)19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,26,30)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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