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PubMed code 20206015

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316422
PNG
((5R,11aR)-5-(2-Bromophenyl)-2-ethyl-5,6,11,11a-tet...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)n2c1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316440
PNG
((6R,12aS)-2-Benzyl-6-(2-bromophenyl)-2,3,6,7,12,12...)
Show SMILES Brc1ccccc1[C@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(Cc1ccccc1)CC2=O
Show InChI InChI=1S/C27H22BrN3O2/c28-21-12-6-4-11-19(21)26-25-20(18-10-5-7-13-22(18)29-25)14-23-27(33)30(16-24(32)31(23)26)15-17-8-2-1-3-9-17/h1-13,23,26,29H,14-16H2/t23-,26+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316438
PNG
((6R,12aS)-6-(2-Bromophenyl)-2-butyl-2,3,6,7,12,12a...)
Show SMILES CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C24H24BrN3O2/c1-2-3-12-27-14-21(29)28-20(24(27)30)13-17-15-8-5-7-11-19(15)26-22(17)23(28)16-9-4-6-10-18(16)25/h4-11,20,23,26H,2-3,12-14H2,1H3/t20-,23+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316436
PNG
((6R,12aS)-6-(2-Bromophenyl)-2-ethyl-2,3,6,7,12,12a...)
Show SMILES CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C22H20BrN3O2/c1-2-25-12-19(27)26-18(22(25)28)11-15-13-7-4-6-10-17(13)24-20(15)21(26)14-8-3-5-9-16(14)23/h3-10,18,21,24H,2,11-12H2,1H3/t18-,21+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316432
PNG
((6R,12aS)-6-(2-Bromophenyl)-2-methyl-2,3,6,7,12,12...)
Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-24-11-18(26)25-17(21(24)27)10-14-12-6-3-5-9-16(12)23-19(14)20(25)13-7-2-4-8-15(13)22/h2-9,17,20,23H,10-11H2,1H3/t17-,20+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316429
PNG
((6R,12aR)-6-(2-Bromophenyl)-2-methyl-2,3,6,7,12,12...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-24-11-18(26)25-17(21(24)27)10-14-12-6-3-5-9-16(12)23-19(14)20(25)13-7-2-4-8-15(13)22/h2-9,17,20,23H,10-11H2,1H3/t17-,20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316437
PNG
((6R,12aR)-6-(2-Bromophenyl)-2-butyl-2,3,6,7,12,12a...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C24H24BrN3O2/c1-2-3-12-27-14-21(29)28-20(24(27)30)13-17-15-8-5-7-11-19(15)26-22(17)23(28)16-9-4-6-10-18(16)25/h4-11,20,23,26H,2-3,12-14H2,1H3/t20-,23-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316422
PNG
((5R,11aR)-5-(2-Bromophenyl)-2-ethyl-5,6,11,11a-tet...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)n2c1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316433
PNG
((6R,12aR)-6-(2-Bromophenyl)-2-ethyl-2,3,6,7,12,12a...)
Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C22H20BrN3O2/c1-2-25-12-19(27)26-18(22(25)28)11-15-13-7-4-6-10-17(13)24-20(15)21(26)14-8-3-5-9-16(14)23/h3-10,18,21,24H,2,11-12H2,1H3/t18-,21-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316423
PNG
((5S,11aR)-5-(2-Bromophenyl)-2-ethyl-5,6,11,11a-tet...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)n2c1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316431
PNG
((6S,12aS)-6-(2-Bromophenyl)-2-methyl-2,3,6,7,12,12...)
Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-24-11-18(26)25-17(21(24)27)10-14-12-6-3-5-9-16(12)23-19(14)20(25)13-7-2-4-8-15(13)22/h2-9,17,20,23H,10-11H2,1H3/t17-,20-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316421
PNG
((1R,3S)Methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro...)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccccc1Br
Show InChI InChI=1S/C19H17BrN2O2/c1-24-19(23)16-10-13-11-6-3-5-9-15(11)21-18(13)17(22-16)12-7-2-4-8-14(12)20/h2-9,16-17,21-22H,10H2,1H3/t16-,17+/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316439
PNG
((6R,12aR)-2-Benzyl-6-(2-bromophenyl)-2,3,6,7,12,12...)
Show SMILES Brc1ccccc1[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(Cc1ccccc1)CC2=O
Show InChI InChI=1S/C27H22BrN3O2/c28-21-12-6-4-11-19(21)26-25-20(18-10-5-7-13-22(18)29-25)14-23-27(33)30(16-24(32)31(23)26)15-17-8-2-1-3-9-17/h1-13,23,26,29H,14-16H2/t23-,26-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316423
PNG
((5S,11aR)-5-(2-Bromophenyl)-2-ethyl-5,6,11,11a-tet...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)n2c1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316420
PNG
((1R,3R)Methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro...)
Show SMILES COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccccc1Br
Show InChI InChI=1S/C19H17BrN2O2/c1-24-19(23)16-10-13-11-6-3-5-9-15(11)21-18(13)17(22-16)12-7-2-4-8-14(12)20/h2-9,16-17,21-22H,10H2,1H3/t16-,17-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316427
PNG
((5R-11aS)-5-(2-Bromophenyl)-2-ethyl-1-oxo-5,6,11,1...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)n2c1=S
Show InChI InChI=1S/C21H18BrN3OS/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316428
PNG
(CHEMBL1097216 | Methyl(1R,3R)-1-(2-bromophenyl)-2-...)
Show SMILES COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1C(=O)CCl)c1ccccc1Br
Show InChI InChI=1S/C21H18BrClN2O3/c1-28-21(27)17-10-14-12-6-3-5-9-16(12)24-19(14)20(25(17)18(26)11-23)13-7-2-4-8-15(13)22/h2-9,17,20,24H,10-11H2,1H3/t17-,20-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316435
PNG
((6S,12aS)-6-(2-Bromophenyl)-2-ethyl-2,3,6,7,12,12a...)
Show SMILES CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C22H20BrN3O2/c1-2-25-12-19(27)26-18(22(25)28)11-15-13-7-4-6-10-17(13)24-20(15)21(26)14-8-3-5-9-16(14)23/h3-10,18,21,24H,2,11-12H2,1H3/t18-,21-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316434
PNG
((6S,12aR)-6-(2-Bromophenyl)-2-ethyl-2,3,6,7,12,12a...)
Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C22H20BrN3O2/c1-2-25-12-19(27)26-18(22(25)28)11-15-13-7-4-6-10-17(13)24-20(15)21(26)14-8-3-5-9-16(14)23/h3-10,18,21,24H,2,11-12H2,1H3/t18-,21+/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316426
PNG
((5S,11aR)-5-(2-Bromophenyl)-2-ethyl-1-oxo-5,6,11,1...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)n2c1=S
Show InChI InChI=1S/C21H18BrN3OS/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m0/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316430
PNG
((6S,12aR)-6-(2-Bromophenyl)-2-methyl-2,3,6,7,12,12...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H18BrN3O2/c1-24-11-18(26)25-17(21(24)27)10-14-12-6-3-5-9-16(12)23-19(14)20(25)13-7-2-4-8-15(13)22/h2-9,17,20,23H,10-11H2,1H3/t17-,20+/m1/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%