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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50037562   
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


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair