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BDBM50032605 CHEMBL3354174

SMILES: CCn1c(NC2CCCC2)nc2c(CCCN3CCOCC3)csc2c1=O

InChI Key: InChIKey=MPBPSOQOXUQMKQ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50032605   
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))
BDBM50032605
PNG
(CHEMBL3354174)
Show SMILES CCn1c(NC2CCCC2)nc2c(CCCN3CCOCC3)csc2c1=O
Show InChI InChI=1S/C20H30N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-13H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032605
PNG
(CHEMBL3354174)
Show SMILES CCn1c(NC2CCCC2)nc2c(CCCN3CCOCC3)csc2c1=O
Show InChI InChI=1S/C20H30N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-13H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair