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BDBM50457942 CHEMBL4217546

SMILES: Cn1c2nc(NCc3ccccc3)n(CCCC(=O)N\N=C\c3ccc(O)cc3O)c2c(=O)n(C)c1=O

InChI Key: InChIKey=FDZYRQDMSBPDEW-JFLMPSFJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457942   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50457942
PNG
(CHEMBL4217546)
Show SMILES Cn1c2nc(NCc3ccccc3)n(CCCC(=O)N\N=C\c3ccc(O)cc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H27N7O5/c1-30-22-21(23(36)31(2)25(30)37)32(24(28-22)26-14-16-7-4-3-5-8-16)12-6-9-20(35)29-27-15-17-10-11-18(33)13-19(17)34/h3-5,7-8,10-11,13,15,33-34H,6,9,12,14H2,1-2H3,(H,26,28)(H,29,35)/b27-15+
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50457942
PNG
(CHEMBL4217546)
Show SMILES Cn1c2nc(NCc3ccccc3)n(CCCC(=O)N\N=C\c3ccc(O)cc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H27N7O5/c1-30-22-21(23(36)31(2)25(30)37)32(24(28-22)26-14-16-7-4-3-5-8-16)12-6-9-20(35)29-27-15-17-10-11-18(33)13-19(17)34/h3-5,7-8,10-11,13,15,33-34H,6,9,12,14H2,1-2H3,(H,26,28)(H,29,35)/b27-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.16E+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