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BDBM50169637 2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one::CHEMBL183877

SMILES: CCCc1nc(C)n2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=IORIFVGSXLSIDK-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 = 50169637   
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
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50169637
PNG
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCCc1nc(C)n2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-18-21-24-20(25-22(29)28(21)15(3)23-18)17-14-16(8-9-19(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29)
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50169637
PNG
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCCc1nc(C)n2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-18-21-24-20(25-22(29)28(21)15(3)23-18)17-14-16(8-9-19(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair