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SMILES: O=c1[nH]c2ccc(cc2c(OCC2CCNCC2)c1-c1cccs1)C#Cc1cccnc1

InChI Key: InChIKey=BJXNSOUJIBXHQS-UHFFFAOYSA-N

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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 = 50444037   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50444037
PNG
(CHEMBL3092564 | US8680116, 1-15)
Show SMILES O=c1[nH]c2ccc(cc2c(OCC2CCNCC2)c1-c1cccs1)C#Cc1cccnc1
Show InChI InChI=1S/C26H23N3O2S/c30-26-24(23-4-2-14-32-23)25(31-17-20-9-12-27-13-10-20)21-15-18(7-8-22(21)29-26)5-6-19-3-1-11-28-16-19/h1-4,7-8,11,14-16,20,27H,9-10,12-13,17H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
 1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...

US Patent US8680116 (2014)


BindingDB Entry DOI: 10.7270/Q2N29VM1
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))		BDBM50444037
PNG
(CHEMBL3092564 | US8680116, 1-15)
Show SMILES O=c1[nH]c2ccc(cc2c(OCC2CCNCC2)c1-c1cccs1)C#Cc1cccnc1
Show InChI InChI=1S/C26H23N3O2S/c30-26-24(23-4-2-14-32-23)25(31-17-20-9-12-27-13-10-20)21-15-18(7-8-22(21)29-26)5-6-19-3-1-11-28-16-19/h1-4,7-8,11,14-16,20,27H,9-10,12-13,17H2,(H,29,30)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of rhesus monkey brain PDE2A3 using FAM-labeled cAMP as substrate after 60 mins by fluorescence polarization assay

Bioorg Med Chem Lett 23: 6522-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.014
BindingDB Entry DOI: 10.7270/Q2KD20CQ
More data for this
Ligand-Target Pair