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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' AND taxid = 9615   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Canis familiaris)
BDBM50246541
PNG
((R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(O[C@H](C)COC)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H37N7O6S/c1-6-20-21-22(29-32(20)12-13-36-4)24(33)28-23(27-21)19-14-18(15-26-25(19)38-17(3)16-37-5)39(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)/t17-/m1/s1
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PubMed
n/an/a 734n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine retina PDE6 by scintillation proximity assay


Bioorg Med Chem Lett 18: 6033-6 (2008)

More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Canis familiaris)
BDBM50246539
PNG
((R)-3-ethyl-5-(2-(1-methoxypropan-2-yloxy)-5-(4-pr...)
Show SMILES CCCN1CCN(CC1)S(=O)(=O)c1cnc(O[C@H](C)COC)c(c1)-c1nc2c(CC)n(C)nc2c(=O)[nH]1
Show InChI InChI=1S/C24H35N7O5S/c1-6-8-30-9-11-31(12-10-30)37(33,34)17-13-18(24(25-14-17)36-16(3)15-35-5)22-26-20-19(7-2)29(4)28-21(20)23(32)27-22/h13-14,16H,6-12,15H2,1-5H3,(H,26,27,32)/t16-/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine retina PDE6 by scintillation proximity assay


Bioorg Med Chem Lett 18: 6033-6 (2008)

More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Canis familiaris)
BDBM50246540
PNG
((R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(O[C@H](C)COC)c(c1)-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C28H36N8O5S/c1-5-23-24-25(33-36(23)17-20-9-7-8-10-29-20)27(37)32-26(31-24)22-15-21(16-30-28(22)41-19(3)18-40-4)42(38,39)35-13-11-34(6-2)12-14-35/h7-10,15-16,19H,5-6,11-14,17-18H2,1-4H3,(H,31,32,37)/t19-/m1/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine retina PDE6 by scintillation proximity assay


Bioorg Med Chem Lett 18: 6033-6 (2008)

More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Canis familiaris)
BDBM50246538
PNG
((R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(O[C@H](C)COC)c(c1)-c1nc2c(CC)n(C)nc2c(=O)[nH]1
Show InChI InChI=1S/C23H33N7O5S/c1-6-18-19-20(27-28(18)4)22(31)26-21(25-19)17-12-16(13-24-23(17)35-15(3)14-34-5)36(32,33)30-10-8-29(7-2)9-11-30/h12-13,15H,6-11,14H2,1-5H3,(H,25,26,31)/t15-/m1/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine retina PDE6 by scintillation proximity assay


Bioorg Med Chem Lett 18: 6033-6 (2008)

More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Canis familiaris)
BDBM50245798
PNG
((R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(O[C@H](C)c2ccccn2)c(c1)-c1nc2c(CC)n(C)nc2c(=O)[nH]1
Show InChI InChI=1S/C26H32N8O4S/c1-5-21-22-23(31-32(21)4)25(35)30-24(29-22)19-15-18(39(36,37)34-13-11-33(6-2)12-14-34)16-28-26(19)38-17(3)20-9-7-8-10-27-20/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,29,30,35)/t17-/m1/s1
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PubMed
n/an/a 4.32E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine retina PDE6 by scintillation proximity assay


Bioorg Med Chem Lett 18: 6033-6 (2008)

More data for this
Ligand-Target Pair