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PubMed code 11297448

Compile data set for download or QSAR
Found 11 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))
BDBM50089814
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098220
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098226
PNG
(4-(1-Cyclohexyl-ethylamino)-1-ethyl-1H-pyrazolo[3,...)
Show SMILES CCn1ncc2c(N[C@@H](C)C3CCCCC3)c3cc(ccc3nc12)C#N
Show InChI InChI=1S/C21H25N5/c1-3-26-21-18(13-23-26)20(24-14(2)16-7-5-4-6-8-16)17-11-15(12-22)9-10-19(17)25-21/h9-11,13-14,16H,3-8H2,1-2H3,(H,24,25)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098225
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCCCCCO
Show InChI InChI=1S/C22H28ClN5O3/c1-3-28-21-16(14-27-28)20(25-12-15-7-8-19(31-2)18(23)11-15)17(13-26-21)22(30)24-9-5-4-6-10-29/h7-8,11,13-14,29H,3-6,9-10,12H2,1-2H3,(H,24,30)(H,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098219
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C24H29ClN6O3/c1-3-31-23-17(15-29-31)22(27-13-16-7-8-20(34-2)19(25)12-16)18(14-28-23)24(33)26-9-5-11-30-10-4-6-21(30)32/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28)
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098222
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NC[C@@H]1CCCO1
Show InChI InChI=1S/C22H26ClN5O3/c1-3-28-21-16(13-27-28)20(24-10-14-6-7-19(30-2)18(23)9-14)17(12-25-21)22(29)26-11-15-5-4-8-31-15/h6-7,9,12-13,15H,3-5,8,10-11H2,1-2H3,(H,24,25)(H,26,29)/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098223
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(O)=O
Show InChI InChI=1S/C17H17ClN4O3/c1-3-22-16-11(9-21-22)15(12(8-20-16)17(23)24)19-7-10-4-5-14(25-2)13(18)6-10/h4-6,8-9H,3,7H2,1-2H3,(H,19,20)(H,23,24)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098221
PNG
(4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-...)
Show SMILES CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
Show InChI InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2)14(11)17-9-12(13)15(20)21-6-3/h9-10H,4-8H2,1-3H3,(H,16,17)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 of human platelets


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50098220
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31)
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n/an/an/an/a 44n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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/an/an/a 42n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips


J Med Chem 44: 1025-7 (2001)


Article DOI: 10.1021/jm0155042
BindingDB Entry DOI: 10.7270/Q2154G8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%