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BDBM50241301 (2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-benzenesulfonyl]-piperazin-1-yl}-ethyl)-phosphonic acid monoethyl ester::CHEMBL541468::ethyl hydrogen 2-(4-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenylsulfonyl)piperazin-1-yl)ethylphosphonate

SMILES: CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1

InChI Key: InChIKey=GFRPMVCPCQENNX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241301   
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-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241301
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.282n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 17: 4271-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.064
BindingDB Entry DOI: 10.7270/Q289172C
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241301
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
BindingDB Entry DOI: 10.7270/Q290237J
More data for this
Ligand-Target Pair