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PubMed code 11150175

Compile data set for download or QSAR
Found 17 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))		BDBM50023921
PNG
(CHEMBL2112876)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C |r|
Show InChI InChI=1S/C31H33FN6O4S/c1-4-13-42-29-10-9-23(43(40,41)38-12-11-22(18-38)36(2)3)14-25(29)30-34-26-16-27-28(15-24(26)31(39)35-30)37(19-33-27)17-20-5-7-21(32)8-6-20/h5-10,14-16,19,22H,4,11-13,17-18H2,1-3H3,(H,34,35,39)/t22-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50086873
PNG
(3-[1-(4-Fluoro-benzyl)-8-oxo-7,8-dihydro-1H-imidaz...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)C(N)=O
Show InChI InChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-30-20-12-21-22(11-18(20)26(34)31-25)32(14-29-21)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,30,31,34)
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n/an/a 0.480n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50023922
PNG
(CHEMBL2112881)
Show SMILES CCCOc1ccc(cc1-c1nc(O)c2cc3n(Cc4ccc(Cl)cc4)cnc3cc2n1)S(=O)(=O)N1CC[C@H](C1)N(C)C |r|
Show InChI InChI=1S/C31H33ClN6O4S/c1-4-13-42-29-10-9-23(43(40,41)38-12-11-22(18-38)36(2)3)14-25(29)30-34-26-16-27-28(15-24(26)31(39)35-30)37(19-33-27)17-20-5-7-21(32)8-6-20/h5-10,14-16,19,22H,4,11-13,17-18H2,1-3H3,(H,34,35,39)/t22-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095727
PNG
(6-[5-(4-Ethyl-piperazine-1-sulfonyl)-2-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccccc4OC)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C32H36N6O5S/c1-4-16-43-30-11-10-23(44(40,41)38-14-12-36(5-2)13-15-38)17-25(30)31-34-26-19-27-28(18-24(26)32(39)35-31)37(21-33-27)20-22-8-6-7-9-29(22)42-3/h6-11,17-19,21H,4-5,12-16,20H2,1-3H3,(H,34,35,39)
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n/an/a 0.620n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095719
PNG
(1-Benzyl-6-[5-(4-ethyl-piperazine-1-sulfonyl)-2-pr...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C31H34N6O4S/c1-3-16-41-29-11-10-23(42(39,40)37-14-12-35(4-2)13-15-37)17-25(29)30-33-26-19-27-28(18-24(26)31(38)34-30)36(21-32-27)20-22-8-6-5-7-9-22/h5-11,17-19,21H,3-4,12-16,20H2,1-2H3,(H,33,34,38)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095728
PNG
(6-[5-(4-Ethyl-piperazine-1-sulfonyl)-2-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4cccc(OC)c4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C32H36N6O5S/c1-4-15-43-30-10-9-24(44(40,41)38-13-11-36(5-2)12-14-38)17-26(30)31-34-27-19-28-29(18-25(27)32(39)35-31)37(21-33-28)20-22-7-6-8-23(16-22)42-3/h6-10,16-19,21H,4-5,11-15,20H2,1-3H3,(H,34,35,39)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50023919
PNG
(CHEMBL2112009)
Show SMILES CCCOc1ccc(cc1-c1nc(O)c2cc3n(Cc4ccccc4)cnc3cc2n1)S(=O)(=O)N1CC[C@H](C1)N(C)C |r|
Show InChI InChI=1S/C31H34N6O4S/c1-4-14-41-29-11-10-23(42(39,40)37-13-12-22(19-37)35(2)3)15-25(29)30-33-26-17-27-28(16-24(26)31(38)34-30)36(20-32-27)18-21-8-6-5-7-9-21/h5-11,15-17,20,22H,4,12-14,18-19H2,1-3H3,(H,33,34,38)/t22-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095721
PNG
(6-[5-(4-Ethyl-piperazine-1-sulfonyl)-2-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4cccc(F)c4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C31H33FN6O4S/c1-3-14-42-29-9-8-23(43(40,41)38-12-10-36(4-2)11-13-38)16-25(29)30-34-26-18-27-28(17-24(26)31(39)35-30)37(20-33-27)19-21-6-5-7-22(32)15-21/h5-9,15-18,20H,3-4,10-14,19H2,1-2H3,(H,34,35,39)
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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
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
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
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095726
PNG
(1-(2-Chloro-benzyl)-6-[5-(4-ethyl-piperazine-1-sul...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccccc4Cl)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C31H33ClN6O4S/c1-3-15-42-29-10-9-22(43(40,41)38-13-11-36(4-2)12-14-38)16-24(29)30-34-26-18-27-28(17-23(26)31(39)35-30)37(20-33-27)19-21-7-5-6-8-25(21)32/h5-10,16-18,20H,3-4,11-15,19H2,1-2H3,(H,34,35,39)
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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
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095720
PNG
(6-[5-(4-Ethyl-piperazine-1-sulfonyl)-2-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C31H33FN6O4S/c1-3-15-42-29-10-9-23(43(40,41)38-13-11-36(4-2)12-14-38)16-25(29)30-34-26-18-27-28(17-24(26)31(39)35-30)37(20-33-27)19-21-5-7-22(32)8-6-21/h5-10,16-18,20H,3-4,11-15,19H2,1-2H3,(H,34,35,39)
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095723
PNG
(3-[1-(4-Fluoro-benzyl)-8-oxo-7,8-dihydro-1H-imidaz...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C25H22FN5O4S/c1-2-9-35-23-8-7-17(36(27,33)34)10-19(23)24-29-20-12-21-22(11-18(20)25(32)30-24)31(14-28-21)13-15-3-5-16(26)6-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,27,33,34)(H,29,30,32)
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n/an/a 3.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095724
PNG
(1-(4-Fluoro-benzyl)-6-[5-(4-methyl-piperazine-1-su...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H31FN6O4S/c1-3-14-41-28-9-8-22(42(39,40)37-12-10-35(2)11-13-37)15-24(28)29-33-25-17-26-27(16-23(25)30(38)34-29)36(19-32-26)18-20-4-6-21(31)7-5-20/h4-9,15-17,19H,3,10-14,18H2,1-2H3,(H,33,34,38)
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n/an/a 3.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50086872
PNG
(1-Benzyl-6-[5-(4-methyl-piperazine-1-sulfonyl)-2-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H32N6O4S/c1-3-15-40-28-10-9-22(41(38,39)36-13-11-34(2)12-14-36)16-24(28)29-32-25-18-26-27(17-23(25)30(37)33-29)35(20-31-26)19-21-7-5-4-6-8-21/h4-10,16-18,20H,3,11-15,19H2,1-2H3,(H,32,33,37)
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50023920
PNG
(CHEMBL2112879)
Show SMILES CCCOc1ccc(cc1-c1nc(O)c2cc3n(Cc4ccccc4)cnc3cc2n1)S(=O)(=O)N1CC[C@@H](C1)N(C)C |r|
Show InChI InChI=1S/C31H34N6O4S/c1-4-14-41-29-11-10-23(42(39,40)37-13-12-22(19-37)35(2)3)15-25(29)30-33-26-17-27-28(16-24(26)31(38)34-30)36(20-32-27)18-21-8-6-5-7-9-21/h5-11,15-17,20,22H,4,12-14,18-19H2,1-3H3,(H,33,34,38)/t22-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095729
PNG
(6-[5-(4-Ethyl-piperazine-1-carbonyl)-2-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)C(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C32H33FN6O3/c1-3-15-42-29-10-7-22(32(41)38-13-11-37(4-2)12-14-38)16-25(29)30-35-26-18-27-28(17-24(26)31(40)36-30)39(20-34-27)19-21-5-8-23(33)9-6-21/h5-10,16-18,20H,3-4,11-15,19H2,1-2H3,(H,35,36,40)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50095718
PNG
(6-[5-(3-Dimethylamino-pyrrolidine-1-carbonyl)-2-pr...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)C(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C32H33FN6O3/c1-4-13-42-29-10-7-21(32(41)38-12-11-23(18-38)37(2)3)14-25(29)30-35-26-16-27-28(15-24(26)31(40)36-30)39(19-34-27)17-20-5-8-22(33)9-6-20/h5-10,14-16,19,23H,4,11-13,17-18H2,1-3H3,(H,35,36,40)/t23-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined

J Med Chem 43: 5037-43 (2001)


BindingDB Entry DOI: 10.7270/Q2862FP8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%