Found 10 hits Enz. Inhib. hit(s) with Target = 'High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14390
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14777
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14769
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14772
((R,S)-Mesopram | 5-(4-methoxy-3-propoxy-phenyl)-5-...)Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14773
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N |(1.4,-2.1,;1.4,-.56,;.07,.21,;-1.27,-.56,;-2.6,.21,;-2.6,1.75,;-1.27,2.52,;.07,1.75,;1.4,2.52,;1.4,4.06,;2.65,4.96,;2.17,6.43,;.63,6.43,;.15,4.96,;-3.93,2.52,;-4.44,3.97,;-5.95,4.26,;-6.96,3.1,;-6.46,1.65,;-4.94,1.35,;-8.47,3.39,;-9.48,2.23,;-8.97,4.85,;-3.16,3.85,;-2.39,5.18,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14771
((E)-{1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethylid...)Show SMILES COc1ccc(cc1OC1CCCC1)C(C)=NOC(N)=O |w:16.18| Show InChI InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593]
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | |