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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 5' AND taxid = 10116   
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
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163573
PNG
((R)-3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2...)
Show SMILES Oc1c2CN([C@@H](c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H21N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-9,11,13-15,26H,10,12,16H2,(H,32,34)/t26-/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163576
PNG
((R)-3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl...)
Show SMILES Oc1c2CN([C@@H](c2nc2ccccc12)c1ccc2OCCc2c1)c1ccccn1
Show InChI InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)/t23-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163581
PNG
(2-[2,3'']Bipyridinyl-6''-yl-3-(2,3-dihydro-benzofu...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cn1)-c1ccccn1
Show InChI InChI=1S/C29H22N4O2/c34-29-21-5-1-2-7-24(21)32-27-22(29)17-33(28(27)19-8-10-25-18(15-19)12-14-35-25)26-11-9-20(16-31-26)23-6-3-4-13-30-23/h1-11,13,15-16,28H,12,14,17H2,(H,32,34)
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0.150n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163570
PNG
(2-[5-(3-Benzyl-3H-imidazol-4-yl)-pyridin-2-yl]-3-(...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cn1)-c1cncn1Cc1ccccc1
Show InChI InChI=1S/C34H27N5O2/c40-34-26-8-4-5-9-28(26)37-32-27(34)20-39(33(32)24-10-12-30-23(16-24)14-15-41-30)31-13-11-25(17-36-31)29-18-35-21-38(29)19-22-6-2-1-3-7-22/h1-13,16-18,21,33H,14-15,19-20H2,(H,37,40)
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0.170n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163577
PNG
(3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2occc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H19N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-15,26H,16H2,(H,32,34)
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0.190n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163578
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-4-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccncc1
Show InChI InChI=1S/C28H21N5O2/c34-27-21-3-1-2-4-23(21)32-25-22(27)16-33(26(25)19-5-6-24-18(13-19)9-12-35-24)28-30-14-20(15-31-28)17-7-10-29-11-8-17/h1-8,10-11,13-15,26H,9,12,16H2,(H,32,34)
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0.220n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163571
PNG
(2-[5-(3-Benzyl-2-methyl-3H-imidazol-4-yl)-pyrimidi...)
Show SMILES Cc1ncc(-c2cnc(nc2)N2Cc3c(nc4ccccc4c3O)C2c2ccc3OCCc3c2)n1Cc1ccccc1
Show InChI InChI=1S/C34H28N6O2/c1-21-35-18-29(39(21)19-22-7-3-2-4-8-22)25-16-36-34(37-17-25)40-20-27-31(38-28-10-6-5-9-26(28)33(27)41)32(40)24-11-12-30-23(15-24)13-14-42-30/h2-12,15-18,32H,13-14,19-20H2,1H3,(H,38,41)
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0.240n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163574
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl...)
Show SMILES Cc1ncc(-c2cnc(nc2)N2Cc3c(nc4ccccc4c3O)C2c2ccc3OCCc3c2)n1C
Show InChI InChI=1S/C28H24N6O2/c1-16-29-14-23(33(16)2)19-12-30-28(31-13-19)34-15-21-25(32-22-6-4-3-5-20(22)27(21)35)26(34)18-7-8-24-17(11-18)9-10-36-24/h3-8,11-14,26H,9-10,15H2,1-2H3,(H,32,35)
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0.240n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163579
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-pyrimidi...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C27H19N5O3/c33-26-19-5-1-2-6-21(19)31-24-20(26)14-32(25(24)16-7-8-22-23(10-16)35-15-34-22)27-29-12-18(13-30-27)17-4-3-9-28-11-17/h1-13,25H,14-15H2,(H,31,33)
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0.290n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163572
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-...)
Show SMILES Cn1cncc1-c1ccc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C28H23N5O2/c1-32-16-29-14-23(32)19-7-9-25(30-13-19)33-15-21-26(31-22-5-3-2-4-20(22)28(21)34)27(33)18-6-8-24-17(12-18)10-11-35-24/h2-9,12-14,16,27H,10-11,15H2,1H3,(H,31,34)
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0.330n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163568
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C28H21N5O2/c34-27-21-5-1-2-6-23(21)32-25-22(27)16-33(26(25)18-7-8-24-17(12-18)9-11-35-24)28-30-14-20(15-31-28)19-4-3-10-29-13-19/h1-8,10,12-15,26H,9,11,16H2,(H,32,34)
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0.360n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163580
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(4-imidazol-1-yl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C28H22N4O2/c33-28-22-3-1-2-4-24(22)30-26-23(28)16-32(21-8-6-20(7-9-21)31-13-12-29-17-31)27(26)19-5-10-25-18(15-19)11-14-34-25/h1-10,12-13,15,17,27H,11,14,16H2,(H,30,33)
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0.510n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50118255
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C30H24N4O3/c1-36-22-9-6-18(7-10-22)21-15-31-30(32-16-21)34-17-24-27(33-25-5-3-2-4-23(25)29(24)35)28(34)20-8-11-26-19(14-20)12-13-37-26/h2-11,14-16,28H,12-13,17H2,1H3,(H,33,35)
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0.520n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50118258
PNG
(2-{5-[4-(2-Diethylamino-ethoxy)-phenyl]-pyrimidin-...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C35H35N5O3/c1-3-39(4-2)16-18-42-27-12-9-23(10-13-27)26-20-36-35(37-21-26)40-22-29-32(38-30-8-6-5-7-28(30)34(29)41)33(40)25-11-14-31-24(19-25)15-17-43-31/h5-14,19-21,33H,3-4,15-18,22H2,1-2H3,(H,38,41)
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0.530n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163575
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl-1,2...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccccn1
Show InChI InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)
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0.650n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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1.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5


(RAT)
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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2.95n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
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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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50116711
PNG
(3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...)
Show SMILES COc1cc(O)c(CC=C(C)C)c2oc(c(O)c(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163582
PNG
(2-[2,2'']Bipyridinyl-5-yl-3-(2,3-dihydro-benzofura...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C29H22N4O2/c34-29-21-5-1-2-6-23(21)32-27-22(29)17-33(28(27)19-8-11-26-18(15-19)12-14-35-26)20-9-10-25(31-16-20)24-7-3-4-13-30-24/h1-11,13,15-16,28H,12,14,17H2,(H,32,34)
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6.43n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5


(RAT)
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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9.77n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 0.300n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163583
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H21N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-9,11,13-15,26H,10,12,16H2,(H,32,34)
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n/an/a 0.400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163567
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(4-imidazol-1-yl-phenyl)...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C27H20N4O3/c32-27-20-3-1-2-4-22(20)29-25-21(27)14-31(19-8-6-18(7-9-19)30-12-11-28-15-30)26(25)17-5-10-23-24(13-17)34-16-33-23/h1-13,15,26H,14,16H2,(H,29,32)
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n/an/a 1.75n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163569
PNG
(2-(5-Bromo-pyrimidin-2-yl)-3-(2,3-dihydro-benzofur...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(Br)cn1
Show InChI InChI=1S/C23H17BrN4O2/c24-15-10-25-23(26-11-15)28-12-17-20(27-18-4-2-1-3-16(18)22(17)29)21(28)14-5-6-19-13(9-14)7-8-30-19/h1-6,9-11,21H,7-8,12H2,(H,27,29)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50116711
PNG
(3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...)
Show SMILES COc1cc(O)c(CC=C(C)C)c2oc(c(O)c(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50366787
PNG
(KURAIDIN)
Show SMILES COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c(O)c1C(=O)\C=C\c1ccc(O)cc1O
Show InChI InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+/t18-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50116713
PNG
((2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(...)
Show SMILES COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O
Show InChI InChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25+/m0/s1
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n/an/a 4.75E+3n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50366788
PNG
(KURARINOL)
Show SMILES COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O
Show InChI InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-20(29)12-23(32-5)24-21(30)13-22(33-25(18)24)17-7-6-16(27)11-19(17)28/h6-7,11-12,15,22,27-29,31H,1,8-10,13H2,2-5H3/t15-,22+/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50116710
PNG
((2R,3S)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(...)
Show SMILES COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@H](O)C(=O)c12)c1ccc(O)cc1O
Show InChI InChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25-/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050582
PNG
(CHEMBL43443 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)
Show SMILES CCCOc1ccc(NC(C)=O)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)(H,20,21,25)
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n/an/an/an/a 40n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050585
PNG
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)
Show SMILES CCCOc1ccc(NC(=S)NCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O2S/c1-5-9-27-14-8-7-12(21-19(28)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,28)(H,22,23,26)
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n/an/an/an/a 60n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050584
PNG
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)
Show SMILES CCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H23FN6O3/c1-4-11-33-18-10-9-16(26-23(32)25-15-7-5-14(24)6-8-15)12-17(18)20-27-21-19(22(31)28-20)13(2)29-30(21)3/h5-10,12H,4,11H2,1-3H3,(H2,25,26,32)(H,27,28,31)
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n/an/an/an/a 40n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050583
PNG
(3-Methyl-6-(2-propoxy-phenyl)-5H-isothiazolo[3,4-d...)
Show SMILES CCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C15H15N3O2S/c1-3-8-20-11-7-5-4-6-10(11)13-16-14-12(15(19)17-13)9(2)21-18-14/h4-7H,3,8H2,1-2H3,(H,16,17,18,19)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050586
PNG
(3-Methyl-6-(2-propoxy-phenyl)-5H-isoxazolo[5,4-d]p...)
Show SMILES CCCOc1ccccc1-c1nc2onc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3/c1-3-8-20-11-7-5-4-6-10(11)13-16-14(19)12-9(2)18-21-15(12)17-13/h4-7H,3,8H2,1-2H3,(H,16,17,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050587
PNG
(2-(2-Propoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-o...)
Show SMILES CCCOc1ccccc1-c1nc2ccsc2c(=O)[nH]1
Show InChI InChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)14-16-11-7-9-20-13(11)15(18)17-14/h3-7,9H,2,8H2,1H3,(H,16,17,18)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050588
PNG
(1-tert-Butyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dih...)
Show SMILES CCCOc1ccccc1-c1nc2n(nc(C)c2c(=O)[nH]1)C(C)(C)C
Show InChI InChI=1S/C19H24N4O2/c1-6-11-25-14-10-8-7-9-13(14)16-20-17-15(18(24)21-16)12(2)22-23(17)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,20,21,24)
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n/an/an/an/a 200n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050581
PNG
(1,3-Dimethyl-6-(2-propoxy-5-thiophen-2-yl-phenyl)-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1cccs1
Show InChI InChI=1S/C20H20N4O2S/c1-4-9-26-15-8-7-13(16-6-5-10-27-16)11-14(15)18-21-19-17(20(25)22-18)12(2)23-24(19)3/h5-8,10-11H,4,9H2,1-3H3,(H,21,22,25)
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n/an/an/an/a 300n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/an/an/a 9.00E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050594
PNG
(2-(2-Propoxy-phenyl)-3H-pyrido[3,4-d]pyrimidin-4-o...)
Show SMILES CCCOc1ccccc1-c1nc2cnccc2c(=O)[nH]1
Show InChI InChI=1S/C16H15N3O2/c1-2-9-21-14-6-4-3-5-12(14)15-18-13-10-17-8-7-11(13)16(20)19-15/h3-8,10H,2,9H2,1H3,(H,18,19,20)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050591
PNG
(7-Methyl-2-(2-propoxy-phenyl)-3H-thieno[3,2-d]pyri...)
Show SMILES CCCOc1ccccc1-c1nc2c(C)csc2c(=O)[nH]1
Show InChI InChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)15-17-13-10(2)9-21-14(13)16(19)18-15/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050598
PNG
(CHEMBL45367 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)
Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C17H21N5O4S/c1-5-8-26-13-7-6-11(21-27(4,24)25)9-12(13)15-18-16-14(17(23)19-15)10(2)20-22(16)3/h6-7,9,21H,5,8H2,1-4H3,(H,18,19,23)
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n/an/an/an/a 350n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050596
PNG
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)
Show SMILES CCCOc1ccc(NC(=O)NCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O3/c1-5-9-28-14-8-7-12(21-19(27)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,27)(H,22,23,26)
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n/an/an/an/a 50n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050602
PNG
(6-[5-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-propo...)
Show SMILES CCCOc1ccc(Nc2nnc(N)[nH]2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C18H21N9O2/c1-4-7-29-12-6-5-10(20-18-23-17(19)24-25-18)8-11(12)14-21-15-13(16(28)22-14)9(2)26-27(15)3/h5-6,8H,4,7H2,1-3H3,(H,21,22,28)(H4,19,20,23,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050600
PNG
(CHEMBL298294 | N-[3-(1-Ethyl-3-methyl-4-oxo-4,5-di...)
Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C18H23N5O4S/c1-5-9-27-14-8-7-12(22-28(4,25)26)10-13(14)16-19-17-15(18(24)20-16)11(3)21-23(17)6-2/h7-8,10,22H,5-6,9H2,1-4H3,(H,19,20,24)
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n/an/an/an/a 200n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050603
PNG
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydr o-1H-pyrazolo[...)
Show SMILES CCCOc1ccc(NC(=S)NC(=O)OCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O4S/c1-5-9-30-14-8-7-12(21-19(31)24-20(28)29-6-2)10-13(14)16-22-17-15(18(27)23-16)11(3)25-26(17)4/h7-8,10H,5-6,9H2,1-4H3,(H,22,23,27)(H2,21,24,28,31)
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n/an/an/an/a 40n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050608
PNG
(6-(2-Ethoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyraz...)
Show SMILES CCOc1ccccc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C15H16N4O2/c1-4-21-11-8-6-5-7-10(11)13-16-14-12(15(20)17-13)9(2)18-19(14)3/h5-8H,4H2,1-3H3,(H,16,17,20)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050606
PNG
(6-(5-Amino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihy...)
Show SMILES CCCOc1ccc(N)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1
Show InChI InChI=1S/C16H19N5O2/c1-4-7-23-12-6-5-10(17)8-11(12)14-18-15-13(16(22)19-14)9(2)20-21(15)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19,22)
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n/an/an/an/a 300n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50050575
PNG
(1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihy...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N5O4/c1-4-7-25-12-6-5-10(21(23)24)8-11(12)14-17-15-13(16(22)18-14)9(2)19-20(15)3/h5-6,8H,4,7H2,1-3H3,(H,17,18,22)
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n/an/an/an/a 100n/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)


Citation and Details
More data for this
Ligand-Target Pair
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