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BDBM50241303 CHEMBL245317::ethyl hydrogen (1-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenylsulfonyl)piperidin-4-yl)methylphosphonate::{1-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-benzenesulfonyl]-piperidin-4-ylmethyl}-phosphonic acid monoethyl ester

SMILES: CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1

InChI Key: InChIKey=WUUHQGRDQLQCMN-UHFFFAOYSA-N

Data: 5 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50241303   
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))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 0.170n/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 0.170n/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
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 from 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
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 2.60n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 from bovine retina


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
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 156n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 from bovine heart


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