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SMILES: Cn1c2nc(NCc3ccccn3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O

InChI Key: InChIKey=MQMDUXNYJBQCTF-MZJWZYIUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457960   
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))
BDBM50457960
PNG
(CHEMBL4214541)
Show SMILES Cn1c2nc(NCc3ccccn3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26N8O4/c1-30-21-20(22(35)31(2)24(30)36)32(23(28-21)26-15-17-9-5-6-12-25-17)13-7-11-19(34)29-27-14-16-8-3-4-10-18(16)33/h3-6,8-10,12,14,33H,7,11,13,15H2,1-2H3,(H,26,28)(H,29,34)/b27-14+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiest...


Eur J Med Chem 146: 381-394 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.068
BindingDB Entry DOI: 10.7270/Q2XD1496
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50457960
PNG
(CHEMBL4214541)
Show SMILES Cn1c2nc(NCc3ccccn3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26N8O4/c1-30-21-20(22(35)31(2)24(30)36)32(23(28-21)26-15-17-9-5-6-12-25-17)13-7-11-19(34)29-27-14-16-8-3-4-10-18(16)33/h3-6,8-10,12,14,33H,7,11,13,15H2,1-2H3,(H,26,28)(H,29,34)/b27-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PDE7A expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiest...


Eur J Med Chem 146: 381-394 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.068
BindingDB Entry DOI: 10.7270/Q2XD1496
More data for this
Ligand-Target Pair