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BDBM50032543 CHEMBL3354180

SMILES: CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=XFJQWGBAKVNZJJ-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 = 50032543   
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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50032543
PNG
(CHEMBL3354180)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 2.30n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50032543
PNG
(CHEMBL3354180)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 640n/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