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BDBM50457958 CHEMBL4218055

SMILES: Cn1c2nc(NCCc3ccccc3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O

InChI Key: InChIKey=XJVSPEKDSQVFJO-OGLMXYFKSA-N

Data: 2 IC50

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   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 = 50457958   
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))
BDBM50457958
PNG
(CHEMBL4218055)
Show SMILES Cn1c2nc(NCCc3ccccc3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H29N7O4/c1-31-23-22(24(36)32(2)26(31)37)33(25(29-23)27-15-14-18-9-4-3-5-10-18)16-8-13-21(35)30-28-17-19-11-6-7-12-20(19)34/h3-7,9-12,17,34H,8,13-16H2,1-2H3,(H,27,29)(H,30,35)/b28-17+
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.69E+4n/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))
BDBM50457958
PNG
(CHEMBL4218055)
Show SMILES Cn1c2nc(NCCc3ccccc3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H29N7O4/c1-31-23-22(24(36)32(2)26(31)37)33(25(29-23)27-15-14-18-9-4-3-5-10-18)16-8-13-21(35)30-28-17-19-11-6-7-12-20(19)34/h3-7,9-12,17,34H,8,13-16H2,1-2H3,(H,27,29)(H,30,35)/b28-17+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/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