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BDBM50491648 CHEMBL2387142

SMILES: CC(C)c1nccn1-c1ccc(cc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C

InChI Key: InChIKey=CPIWMCKHHWEDQT-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 = 50491648   
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491648
PNG
(CHEMBL2387142)
Show SMILES CC(C)c1nccn1-c1ccc(cc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:16|
Show InChI InChI=1S/C24H30N6O2/c1-15(2)22-25-10-11-29(22)17-8-6-16(7-9-17)18-14-26-23(32)20-19(27-18)21(24(3,4)5)28-30(20)12-13-31/h6-11,15,31H,12-14H2,1-5H3,(H,26,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50491648
PNG
(CHEMBL2387142)
Show SMILES CC(C)c1nccn1-c1ccc(cc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:16|
Show InChI InChI=1S/C24H30N6O2/c1-15(2)22-25-10-11-29(22)17-8-6-16(7-9-17)18-14-26-23(32)20-19(27-18)21(24(3,4)5)28-30(20)12-13-31/h6-11,15,31H,12-14H2,1-5H3,(H,26,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair