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Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with all data for entry = 1326   
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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317140
PNG
(US9617269, Compound WYQ-90-D)
Show SMILES COc1ccc(NC(=O)C(C)NC2=NC3C(C=NN3C3CCCC3)C(=O)N2)cc1 |c:16,t:12|
Show InChI InChI=1S/C20H26N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14,16-17H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)
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n/an/a 0.600n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317136
PNG
(US9617269, Compound WYQ-87-D | US9617269, Compound...)
Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
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n/an/a 1n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317141
PNG
(US9617269, Compound WYQ-90-L)
Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
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n/an/a 3n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317074
PNG
(US9617269, Compound WYQ-25)
Show SMILES Clc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C17H18ClN5O/c18-12-7-5-11(6-8-12)9-19-17-21-15-14(16(24)22-17)10-20-23(15)13-3-1-2-4-13/h5-8,10,13H,1-4,9H2,(H2,19,21,22,24)
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n/an/a 4n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317143
PNG
(US9617269, Compound WYQ-92)
Show SMILES COc1ccc(NC(=O)CCNC2=NC3C(C=NN3C3CCCC3)C(=O)N2)cc1 |c:16,t:12|
Show InChI InChI=1S/C20H26N6O3/c1-29-15-8-6-13(7-9-15)23-17(27)10-11-21-20-24-18-16(19(28)25-20)12-22-26(18)14-4-2-3-5-14/h6-9,12,14,16,18H,2-5,10-11H2,1H3,(H,23,27)(H2,21,24,25,28)
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n/an/a 6n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50034639
PNG
(CHEMBL3360414 | US9617269, Compound WYQ-91)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C19H22N6O3/c1-28-14-8-6-12(7-9-14)22-16(26)11-20-19-23-17-15(18(27)24-19)10-21-25(17)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,22,26)(H2,20,23,24,27)
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n/an/a 6n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50398649
PNG
(CHEMBL2178115 | US9617269, Compound WYQ-94-D)
Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)
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n/an/a 6n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317095
PNG
(US9617269, Compound WYQ-46)
Show SMILES CC(Nc1nc2n(ncc2c(=O)[nH]1)C1CCCC1)c1ccc(Cl)cc1
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n/an/a 6n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317094
PNG
(US9617269, Compound WYQ-45)
Show SMILES Clc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N5O/c18-11-6-5-10(14(19)7-11)8-20-17-22-15-13(16(25)23-17)9-21-24(15)12-3-1-2-4-12/h5-7,9,12H,1-4,8H2,(H2,20,22,23,25)
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n/an/a 8n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317128
PNG
(US9617269, Compound WYQ-79)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O/c1-11(2)10-21-14-13(9-18-21)15(22)20-16(19-14)17-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H2,17,19,20,22)
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n/an/a 12n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317080
PNG
(US9617269, Compound WYQ-31)
Show SMILES Cc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C18H21N5O/c1-12-6-8-13(9-7-12)10-19-18-21-16-15(17(24)22-18)11-20-23(16)14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H2,19,21,22,24)
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n/an/a 14n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317076
PNG
(US9617269, Compound WYQ-27)
Show SMILES Clc1ccccc1CNc1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C17H18ClN5O/c18-14-8-4-1-5-11(14)9-19-17-21-15-13(16(24)22-17)10-20-23(15)12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H2,19,21,22,24)
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n/an/a 14n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317117
PNG
(US9617269, Compound WYQ-68)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1ccc(Cl)cc1)[nH]c2=O
Show InChI InChI=1S/C16H18ClN5O/c1-10(2)9-22-14-13(8-19-22)15(23)21-16(20-14)18-7-11-3-5-12(17)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H2,18,20,21,23)
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n/an/a 15n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317081
PNG
(US9617269, Compound WYQ-32)
Show SMILES COc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)c(OC)c1
Show InChI InChI=1S/C19H23N5O3/c1-26-14-8-7-12(16(9-14)27-2)10-20-19-22-17-15(18(25)23-19)11-21-24(17)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H2,20,22,23,25)
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n/an/a 15n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317118
PNG
(US9617269, Compound WYQ-69)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C16H18ClN5O/c1-10(2)9-22-14-13(8-19-22)15(23)21-16(20-14)18-7-11-4-3-5-12(17)6-11/h3-6,8,10H,7,9H2,1-2H3,(H2,18,20,21,23)
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n/an/a 17n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317085
PNG
(US9617269, Compound WYQ-36)
Show SMILES O=c1[nH]c(NCc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H19N5O/c23-16-14-11-19-22(13-8-4-5-9-13)15(14)20-17(21-16)18-10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,18,20,21,23)
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n/an/a 17n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317144
PNG
(US9617269, Compound WYQ-93-D)
Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(CC(C)C)ncc3c(=O)[nH]2)cc1
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n/an/a 18n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317099
PNG
(US9617269, Compound WYQ-50)
Show SMILES Clc1cccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)c1
Show InChI InChI=1S/C18H20ClN5O/c19-13-6-4-5-12(9-13)10-20-18-22-16-15(17(25)23-18)11-21-24(16)14-7-2-1-3-8-14/h4-6,9,11,14H,1-3,7-8,10H2,(H2,20,22,23,25)
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n/an/a 18n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317050
PNG
(US9617269, Compound WYQ-1)
Show SMILES CC(C)n1ncc2c1nc(NCc1ccc(Cl)cc1)[nH]c2=O
Show InChI InChI=1S/C15H16ClN5O/c1-9(2)21-13-12(8-18-21)14(22)20-15(19-13)17-7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22)
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n/an/a 19n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317109
PNG
(US9617269, Compound WYQ-60)
Show SMILES O=c1[nH]c(NCc2ccccc2)nc2n(ncc12)C1CCCCC1
Show InChI InChI=1S/C18H21N5O/c24-17-15-12-20-23(14-9-5-2-6-10-14)16(15)21-18(22-17)19-11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H2,19,21,22,24)
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n/an/a 19n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317119
PNG
(US9617269, Compound WYQ-70)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1ccccc1Cl)[nH]c2=O
Show InChI InChI=1S/C16H18ClN5O/c1-10(2)9-22-14-12(8-19-22)15(23)21-16(20-14)18-7-11-5-3-4-6-13(11)17/h3-6,8,10H,7,9H2,1-2H3,(H2,18,20,21,23)
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n/an/a 19n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317097
PNG
(US9617269, Compound WYQ-48)
Show SMILES CN(Cc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-22(12-13-7-3-2-4-8-13)18-20-16-15(17(24)21-18)11-19-23(16)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,20,21,24)
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n/an/a 20n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317077
PNG
(US9617269, Compound WYQ-28)
Show SMILES COc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C18H21N5O2/c1-25-14-8-6-12(7-9-14)10-19-18-21-16-15(17(24)22-18)11-20-23(16)13-4-2-3-5-13/h6-9,11,13H,2-5,10H2,1H3,(H2,19,21,22,24)
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n/an/a 20n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317075
PNG
(US9617269, Compound WYQ-26)
Show SMILES Clc1cccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)c1
Show InChI InChI=1S/C17H18ClN5O/c18-12-5-3-4-11(8-12)9-19-17-21-15-14(16(24)22-17)10-20-23(15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7,9H2,(H2,19,21,22,24)
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n/an/a 20n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317132
PNG
(US9617269, Compound WYQ-83)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1ccc(Cl)cc1Cl)[nH]c2=O
Show InChI InChI=1S/C16H17Cl2N5O/c1-9(2)8-23-14-12(7-20-23)15(24)22-16(21-14)19-6-10-3-4-11(17)5-13(10)18/h3-5,7,9H,6,8H2,1-2H3,(H2,19,21,22,24)
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n/an/a 21n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317071
PNG
(US9617269, Compound WYQ-22)
Show SMILES CC(C)n1ncc2c1nc(NC(C)c1ccc(Cl)cc1)[nH]c2=O
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n/an/a 23n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317098
PNG
(US9617269, Compound WYQ-49)
Show SMILES Clc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)cc1
Show InChI InChI=1S/C18H20ClN5O/c19-13-8-6-12(7-9-13)10-20-18-22-16-15(17(25)23-18)11-21-24(16)14-4-2-1-3-5-14/h6-9,11,14H,1-5,10H2,(H2,20,22,23,25)
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n/an/a 23n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317121
PNG
(US9617269, Compound WYQ-72)
Show SMILES COc1cccc(CNc2nc3n(CC(C)C)ncc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H21N5O2/c1-11(2)10-22-15-14(9-19-22)16(23)21-17(20-15)18-8-12-5-4-6-13(7-12)24-3/h4-7,9,11H,8,10H2,1-3H3,(H2,18,20,21,23)
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n/an/a 25n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317070
PNG
(US9617269, Compound WYQ-21)
Show SMILES CC(C)n1ncc2c1nc(NCc1ccc(Cl)cc1Cl)[nH]c2=O
Show InChI InChI=1S/C15H15Cl2N5O/c1-8(2)22-13-11(7-19-22)14(23)21-15(20-13)18-6-9-3-4-10(16)5-12(9)17/h3-5,7-8H,6H2,1-2H3,(H2,18,20,21,23)
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n/an/a 25n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317079
PNG
(US9617269, Compound WYQ-30)
Show SMILES COc1ccccc1CNc1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H21N5O2/c1-25-15-9-5-2-6-12(15)10-19-18-21-16-14(17(24)22-18)11-20-23(16)13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H2,19,21,22,24)
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n/an/a 25n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50034644
PNG
(CHEMBL3360418 | US9617269, Compound WYQ-88)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
Show InChI InChI=1S/C17H20N6O3/c1-10(2)23-15-13(8-19-23)16(25)22-17(21-15)18-9-14(24)20-11-4-6-12(26-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22,25)
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n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317139
PNG
(US9617269, Compound WYQ-89)
Show SMILES COc1ccc(NC(=O)CCNc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
Show InChI InChI=1S/C18H22N6O3/c1-11(2)24-16-14(10-20-24)17(26)23-18(22-16)19-9-8-15(25)21-12-4-6-13(27-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)(H2,19,22,23,26)
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n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317108
PNG
(US9617269, Compound WYQ-59)
Show SMILES O=c1[nH]c(NCc2cccnc2)nc2n(ncc12)C1CCCCC1
Show InChI InChI=1S/C17H20N6O/c24-16-14-11-20-23(13-6-2-1-3-7-13)15(14)21-17(22-16)19-10-12-5-4-8-18-9-12/h4-5,8-9,11,13H,1-3,6-7,10H2,(H2,19,21,22,24)
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n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317102
PNG
(US9617269, Compound WYQ-53)
Show SMILES COc1cccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)c1
Show InChI InChI=1S/C19H23N5O2/c1-26-15-9-5-6-13(10-15)11-20-19-22-17-16(18(25)23-19)12-21-24(17)14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,20,22,23,25)
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n/an/a 28n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317100
PNG
(US9617269, Compound WYQ-51)
Show SMILES Clc1ccccc1CNc1nc2n(ncc2c(=O)[nH]1)C1CCCCC1
Show InChI InChI=1S/C18H20ClN5O/c19-15-9-5-4-6-12(15)10-20-18-22-16-14(17(25)23-18)11-21-24(16)13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,20,22,23,25)
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n/an/a 28n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317106
PNG
(US9617269, Compound WYQ-57)
Show SMILES O=c1[nH]c(NCc2ccc3OCOc3c2)nc2n(ncc12)C1CCCCC1
Show InChI InChI=1S/C19H21N5O3/c25-18-14-10-21-24(13-4-2-1-3-5-13)17(14)22-19(23-18)20-9-12-6-7-15-16(8-12)27-11-26-15/h6-8,10,13H,1-5,9,11H2,(H2,20,22,23,25)
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n/an/a 29n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317082
PNG
(US9617269, Compound WYQ-33)
Show SMILES O=c1[nH]c(NCc2ccc3OCOc3c2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C18H19N5O3/c24-17-13-9-20-23(12-3-1-2-4-12)16(13)21-18(22-17)19-8-11-5-6-14-15(7-11)26-10-25-14/h5-7,9,12H,1-4,8,10H2,(H2,19,21,22,24)
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n/an/a 29n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317125
PNG
(US9617269, Compound WYQ-76)
Show SMILES CC(C)Cn1ncc2c1nc(NCc1ccc3OCOc3c1)[nH]c2=O
Show InChI InChI=1S/C17H19N5O3/c1-10(2)8-22-15-12(7-19-22)16(23)21-17(20-15)18-6-11-3-4-13-14(5-11)25-9-24-13/h3-5,7,10H,6,8-9H2,1-2H3,(H2,18,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317084
PNG
(US9617269, Compound WYQ-35)
Show SMILES O=c1[nH]c(NCc2cccnc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C16H18N6O/c23-15-13-10-19-22(12-5-1-2-6-12)14(13)20-16(21-15)18-9-11-4-3-7-17-8-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,18,20,21,23)
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n/an/a 33n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317105
PNG
(US9617269, Compound WYQ-56)
Show SMILES COc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)c(OC)c1
Show InChI InChI=1S/C20H25N5O3/c1-27-15-9-8-13(17(10-15)28-2)11-21-20-23-18-16(19(26)24-20)12-22-25(18)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H2,21,23,24,26)
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n/an/a 36n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317135
PNG
(US9617269, Compound WYQ-86)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C17H21N5O/c1-12(2)10-22-15-14(9-18-22)16(23)20-17(19-15)21(3)11-13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,19,20,23)
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n/an/a 37n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317103
PNG
(US9617269, Compound WYQ-54)
Show SMILES COc1ccccc1CNc1nc2n(ncc2c(=O)[nH]1)C1CCCCC1
Show InChI InChI=1S/C19H23N5O2/c1-26-16-10-6-5-7-13(16)11-20-19-22-17-15(18(25)23-19)12-21-24(17)14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11H2,1H3,(H2,20,22,23,25)
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n/an/a 39n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317083
PNG
(US9617269, Compound WYQ-34)
Show SMILES CC(Nc1nc2n(ncc2c(=O)[nH]1)C1CCCC1)c1ccccc1
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n/an/a 39n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317101
PNG
(US9617269, Compound WYQ-52)
Show SMILES COc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)cc1
Show InChI InChI=1S/C19H23N5O2/c1-26-15-9-7-13(8-10-15)11-20-19-22-17-16(18(25)23-19)12-21-24(17)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H2,20,22,23,25)
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n/an/a 39n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317058
PNG
(US9617269, Compound WYQ-9)
Show SMILES CC(C)n1ncc2c1nc(NCc1ccc3OCOc3c1)[nH]c2=O
Show InChI InChI=1S/C16H17N5O3/c1-9(2)21-14-11(7-18-21)15(22)20-16(19-14)17-6-10-3-4-12-13(5-10)24-8-23-12/h3-5,7,9H,6,8H2,1-2H3,(H2,17,19,20,22)
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n/an/a 40n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317096
PNG
(US9617269, Compound WYQ-47)
Show SMILES FC(F)(F)c1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-7-5-11(6-8-12)9-22-17-24-15-14(16(27)25-17)10-23-26(15)13-3-1-2-4-13/h5-8,10,13H,1-4,9H2,(H2,22,24,25,27)
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n/an/a 40n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317056
PNG
(US9617269, Compound WYQ-7)
Show SMILES CC(C)n1ncc2c1nc(NCc1ccc(C)cc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O/c1-10(2)21-14-13(9-18-21)15(22)20-16(19-14)17-8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H2,17,19,20,22)
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n/an/a 42n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317124
PNG
(US9617269, Compound WYQ-75)
Show SMILES COc1ccc(CNc2nc3n(CC(C)C)ncc3c(=O)[nH]2)c(OC)c1
Show InChI InChI=1S/C18H23N5O3/c1-11(2)10-23-16-14(9-20-23)17(24)22-18(21-16)19-8-12-5-6-13(25-3)7-15(12)26-4/h5-7,9,11H,8,10H2,1-4H3,(H2,19,21,22,24)
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n/an/a 43n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317104
PNG
(US9617269, Compound WYQ-55)
Show SMILES Cc1ccc(CNc2nc3n(ncc3c(=O)[nH]2)C2CCCCC2)cc1
Show InChI InChI=1S/C19H23N5O/c1-13-7-9-14(10-8-13)11-20-19-22-17-16(18(25)23-19)12-21-24(17)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,20,22,23,25)
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n/an/a 43n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM317122
PNG
(US9617269, Compound WYQ-73)
Show SMILES COc1ccccc1CNc1nc2n(CC(C)C)ncc2c(=O)[nH]1
Show InChI InChI=1S/C17H21N5O2/c1-11(2)10-22-15-13(9-19-22)16(23)21-17(20-15)18-8-12-6-4-5-7-14(12)24-3/h4-7,9,11H,8,10H2,1-3H3,(H2,18,20,21,23)
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n/an/a 44n/an/an/an/an/an/a



Sun Yat-Sen University; University of North Carolina at Chapel Hill

US Patent


Assay Description
Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...

US Patent US9617269 (2017)


BindingDB Entry DOI: 10.7270/Q2RX9F4B
More data for this
Ligand-Target Pair
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