BindingDB logo
myBDB logout

null

SMILES: COc1ccc(\C=N\NC(=O)CCCn2c(NCc3ccccc3)nc3n(C)c(=O)n(C)c(=O)c23)c(O)c1

InChI Key: InChIKey=VIWWFFQWMHWPCF-LQKURTRISA-N

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 = 50457950   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50457950
PNG
(CHEMBL4217007)
Show SMILES COc1ccc(\C=N\NC(=O)CCCn2c(NCc3ccccc3)nc3n(C)c(=O)n(C)c(=O)c23)c(O)c1
Show InChI InChI=1S/C26H29N7O5/c1-31-23-22(24(36)32(2)26(31)37)33(25(29-23)27-15-17-8-5-4-6-9-17)13-7-10-21(35)30-28-16-18-11-12-19(38-3)14-20(18)34/h4-6,8-9,11-12,14,16,34H,7,10,13,15H2,1-3H3,(H,27,29)(H,30,35)/b28-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.28E+4n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50457950
PNG
(CHEMBL4217007)
Show SMILES COc1ccc(\C=N\NC(=O)CCCn2c(NCc3ccccc3)nc3n(C)c(=O)n(C)c(=O)c23)c(O)c1
Show InChI InChI=1S/C26H29N7O5/c1-31-23-22(24(36)32(2)26(31)37)33(25(29-23)27-15-17-8-5-4-6-9-17)13-7-10-21(35)30-28-16-18-11-12-19(38-3)14-20(18)34/h4-6,8-9,11-12,14,16,34H,7,10,13,15H2,1-3H3,(H,27,29)(H,30,35)/b28-16+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+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