Found 12 hits of Enzyme Inhibition Constant Data 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 |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50272529
(3,7-Bis(2-hydroxyethyl)icaritin | CHEMBL498486)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6]-[#6]-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6]-[#6]-[#8] Show InChI InChI=1S/C25H28O8/c1-15(2)4-9-18-20(31-12-10-26)14-19(28)21-22(29)25(32-13-11-27)23(33-24(18)21)16-5-7-17(30-3)8-6-16/h4-8,14,26-28H,9-13H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(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) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human PDE6C |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50272526
(CHEMBL497293 | Icariside II)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-1-[#8] |r| Show InChI InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50272528
(7-(2-Hydroxyethyl)-3-O-rhamnosylicariin | CHEMBL50...)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6]-[#6]-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-1-[#8] |r| Show InChI InChI=1S/C29H34O11/c1-14(2)5-10-18-20(37-12-11-30)13-19(31)21-23(33)28(40-29-25(35)24(34)22(32)15(3)38-29)26(39-27(18)21)16-6-8-17(36-4)9-7-16/h5-9,13,15,22,24-25,29-32,34-35H,10-12H2,1-4H3/t15-,22-,24+,25+,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50240974
(2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-8-(3-met...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])c(-[#8])c1)c(-[#8])c2=O Show InChI InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15(24)16-17(25)18(26)19(27-20(11)16)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50240972
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50272527
(3-hydroxy-7-o-beta-glucose-8-prenyl-4'-methoxy Chr...)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8] Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50027363
(CHEBI:78420 | Icariin)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM19460
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM50272529
(3,7-Bis(2-hydroxyethyl)icaritin | CHEMBL498486)Show SMILES [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6]-[#6]-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6]-[#6]-[#8] Show InChI InChI=1S/C25H28O8/c1-15(2)4-9-18-20(31-12-10-26)14-19(28)21-22(29)25(32-13-11-27)23(33-24(18)21)16-5-7-17(30-3)8-6-16/h4-8,14,26-28H,9-13H2,1-3H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human PDE6C |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50272557
(3,7-dimethanesulfonyl-8-prenyl-4'-methoxy Chrysin ...)Show SMILES COc1ccc(cc1)-c1oc2c3CCC(C)(C)Oc3cc(O)c2c(=O)c1O Show InChI InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A1 expressed in COS7 cells |
J Nat Prod 71: 1513-7 (2008)
Article DOI: 10.1021/np800049y BindingDB Entry DOI: 10.7270/Q2R78G4G |
More data for this Ligand-Target Pair | |