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BDBM50491679 CHEMBL2387430

SMILES: COc1ccc(cc1-c1cnc(OC)nc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C

InChI Key: InChIKey=DCQBHFJFGDDQBX-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 = 50491679   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50491679
PNG
(CHEMBL2387430)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)21-19-20(30(29-21)8-9-31)22(32)25-13-17(28-19)14-6-7-18(33-4)16(10-14)15-11-26-23(34-5)27-12-15/h6-7,10-12,31H,8-9,13H2,1-5H3,(H,25,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491679
PNG
(CHEMBL2387430)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)21-19-20(30(29-21)8-9-31)22(32)25-13-17(28-19)14-6-7-18(33-4)16(10-14)15-11-26-23(34-5)27-12-15/h6-7,10-12,31H,8-9,13H2,1-5H3,(H,25,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 562n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair