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PubMed code 11549447

Compile data set for download or QSAR
Found 6 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))
BDBM50104208
PNG
(8-[5-((R)-3-Dimethylamino-pyrrolidine-1-sulfonyl)-...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3c[nH]nc3nc(NCc3ccc(F)cc3)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C30H33FN8O4S/c1-4-13-43-24-10-9-21(44(41,42)39-12-11-20(17-39)38(2)3)14-22(24)27-34-26-23-16-33-37-28(23)35-29(25(26)30(40)36-27)32-15-18-5-7-19(31)8-6-18/h5-10,14,16,20H,4,11-13,15,17H2,1-3H3,(H,34,36,40)(H2,32,33,35,37)/t20-/m1/s1
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Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50104206
PNG
(5-(3-Chloro-4-methoxy-benzylamino)-8-[5-((R)-3-dim...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3c[nH]nc3nc(NCc3ccc(OC)c(Cl)c3)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C31H35ClN8O5S/c1-5-12-45-24-9-7-20(46(42,43)40-11-10-19(17-40)39(2)3)14-21(24)28-35-27-22-16-34-38-29(22)36-30(26(27)31(41)37-28)33-15-18-6-8-25(44-4)23(32)13-18/h6-9,13-14,16,19H,5,10-12,15,17H2,1-4H3,(H,35,37,41)(H2,33,34,36,38)/t19-/m1/s1
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
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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Article
PubMed
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 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50104204
PNG
(8-[5-((R)-3-Dimethylamino-pyrrolidine-1-sulfonyl)-...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(NCc3ccc(F)cc3)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C38H41FN8O5S/c1-5-18-52-32-15-14-29(53(49,50)47-17-16-27(22-47)45(2)3)19-30(32)35-41-34-31-23-46(21-25-8-12-28(51-4)13-9-25)44-36(31)42-37(33(34)38(48)43-35)40-20-24-6-10-26(39)11-7-24/h6-15,19,23,27H,5,16-18,20-22H2,1-4H3,(H,40,42,44)(H,41,43,48)/t27-/m1/s1
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50104207
PNG
(8-[5-((R)-3-Dimethylamino-pyrrolidine-1-sulfonyl)-...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3c[nH]nc3ncc2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C23H27N7O4S/c1-4-9-34-19-6-5-15(35(32,33)30-8-7-14(13-30)29(2)3)10-16(19)22-26-20-17-12-25-28-21(17)24-11-18(20)23(31)27-22/h5-6,10-12,14H,4,7-9,13H2,1-3H3,(H,24,25,28)(H,26,27,31)/t14-/m1/s1
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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50104205
PNG
(5-Chloro-8-[5-((R)-3-dimethylamino-pyrrolidine-1-s...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(Cl)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C31H34ClN7O5S/c1-5-14-44-25-11-10-22(45(41,42)39-13-12-20(17-39)37(2)3)15-23(25)29-33-27-24-18-38(16-19-6-8-21(43-4)9-7-19)36-30(24)34-28(32)26(27)31(40)35-29/h6-11,15,18,20H,5,12-14,16-17H2,1-4H3,(H,33,35,40)/t20-/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%