Found 177 hits with Last Name = 'bischoff' and Initial = 'e' 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 |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36717
(1,25(OH)2D3)Show SMILES CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C |r| Show InChI InChI=1S/C30H50O/c1-21-18-23(3)24(4)26(19-21)12-8-11-25-15-17-30(7)27(20-25)13-14-28(30)22(2)10-9-16-29(5,6)31/h8,11-12,21-23,25,27-28,31H,4,9-10,13-20H2,1-3,5-7H3/b11-8+,26-12-/t21-,22?,23-,25?,27?,28?,30?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36722
(LG190178)Show SMILES CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H40O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,29-30H,8-9,16-18H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 150 | -36.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36721
(LG190176)Show SMILES CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H38O4/c1-8-28(9-2,21-10-12-24(19(3)14-21)31-17-23-16-30-23)22-11-13-25(20(4)15-22)32-18-26(29)27(5,6)7/h10-15,23H,8-9,16-18H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | >-31.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36719
(LG190119)Show SMILES Cc1cc(ccc1OCC(=O)C(C)(C)C)C1(CCCCC1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C32H44O4/c1-22-18-24(12-14-26(22)35-20-28(33)30(3,4)5)32(16-10-9-11-17-32)25-13-15-27(23(2)19-25)36-21-29(34)31(6,7)8/h12-15,18-19H,9-11,16-17,20-21H2,1-8H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | >-31.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36718
(LG190090)Show SMILES CC(C)(C)C(=O)COc1ccc(cc1Cl)C(C)(C)c1ccc(OCC(=O)C(C)(C)C)c(Cl)c1 Show InChI InChI=1S/C27H34Cl2O4/c1-25(2,3)23(30)15-32-21-11-9-17(13-19(21)28)27(7,8)18-10-12-22(20(29)14-18)33-16-24(31)26(4,5)6/h9-14H,15-16H2,1-8H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| >1.00E+3 | >-31.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM36720
(LG190155)Show SMILES CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | >-31.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid. |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111902
(2-(2-ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-19-23-15(3)20-22(29)24-21(25-28(19)20)17-14-16(8-9-18(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111900
(4-[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydro...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CC[NH+](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)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169652
(6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-...)Show InChI InChI=1S/C17H20N4O2/c1-4-10-21-16-14(11(3)20-21)17(22)19-15(18-16)12-8-6-7-9-13(12)23-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,22) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169627
(7-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-25(33)22-17(2)26-24(31(22)28-23)18-6-4-5-7-18/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169633
(7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...)Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O4S/c1-4-34-20-10-9-18(35(32,33)29-13-11-28(3)12-14-29)15-19(20)22-26-24(31)21-16(2)25-23(30(21)27-22)17-7-5-6-8-17/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111902
(2-(2-ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-19-23-15(3)20-22(29)24-21(25-28(19)20)17-14-16(8-9-18(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169635
(7-Cyclopentyl-2-(2-ethoxy-phenyl)-5-methyl-3H-imid...)Show SMILES CCOc1ccccc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-19(24)16-12(2)20-18(23(16)22-17)13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169641
(2-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-4-6-20-24-16(3)21-23(31)25-22(26-29(20)21)18-15-17(7-8-19(18)34-5-2)35(32,33)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169634
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-20-9-8-18(37(34,35)31-12-10-30(11-13-31)14-15-32)16-19(20)24-26-22-21(17-6-4-5-7-17)28-29(2)23(22)25(33)27-24/h8-9,16-17,32H,3-7,10-15H2,1-2H3,(H,26,27,33) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111897
(2-(2-Ethoxy-phenyl)-3,5-dimethyl-7-propyl-3H-imida...)Show InChI InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111897
(2-(2-Ethoxy-phenyl)-3,5-dimethyl-7-propyl-3H-imida...)Show InChI InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
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
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169647
(7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...)Show SMILES CCOc1ccc(cc1-c1nn2c(nc(CC)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H34N6O4S/c1-4-20-22-25(32)27-23(28-31(22)24(26-20)17-8-6-7-9-17)19-16-18(10-11-21(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169630
(6-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1nc(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-9-28-21-19(15(3)25-28)22(29)24-20(23-21)17-14-16(7-8-18(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,24,29) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169639
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCc1nc(CC)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-18(6-2)21-23(30)25-22(26-29(20)21)17-15-16(9-10-19(17)33-7-3)34(31,32)28-13-11-27(4)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169625
(2-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCOc1ccc(cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H28N6O5S/c1-4-32-18-6-5-16(33(30,31)26-9-7-25(8-10-26)11-12-28)13-17(18)20-23-21(29)19-14(2)22-15(3)27(19)24-20/h5-6,13,28H,4,7-12H2,1-3H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169633
(7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...)Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O4S/c1-4-34-20-10-9-18(35(32,33)29-13-11-28(3)12-14-29)15-19(20)22-26-24(31)21-16(2)25-23(30(21)27-22)17-7-5-6-8-17/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,26,27,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111898
(2-(2-Propoxy-phenyl)-9-propyl-1,9-dihydro-purin-6-...)Show InChI InChI=1S/C17H20N4O2/c1-3-9-21-11-18-14-16(21)19-15(20-17(14)22)12-7-5-6-8-13(12)23-10-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169626
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1cnc2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H28N6O4S/c1-4-8-26-14-22-18-20(26)23-19(24-21(18)28)16-13-15(6-7-17(16)31-5-2)32(29,30)27-11-9-25(3)10-12-27/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,23,24,28) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169627
(7-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-25(33)22-17(2)26-24(31(22)28-23)18-6-4-5-7-18/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169648
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(noc2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-2-34-19-8-7-17(36(32,33)29-11-9-28(10-12-29)13-14-30)15-18(19)23-25-21-20(16-5-3-4-6-16)27-35-22(21)24(31)26-23/h7-8,15-16,30H,2-6,9-14H2,1H3,(H,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169637
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCc1nc(C)n2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-18-21-24-20(25-22(29)28(21)15(3)23-18)17-14-16(8-9-19(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111901
(2-(5-(4-methylpiperazin-1-ylsulfonyl)-2-propoxyphe...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CCC)cnc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-4-8-27-15-23-19-21(27)24-20(25-22(19)29)17-14-16(6-7-18(17)32-13-5-2)33(30,31)28-11-9-26(3)10-12-28/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50024352
(CHEMBL183857)Show InChI InChI=1S/C16H18N4O2/c1-3-9-20-10-17-13-15(20)18-14(19-16(13)21)11-7-5-6-8-12(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169643
(8-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-24-22(18-6-4-5-7-18)26-17(2)31(24)25(33)28-23/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169634
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-20-9-8-18(37(34,35)31-12-10-30(11-13-31)14-15-32)16-19(20)24-26-22-21(17-6-4-5-7-17)28-29(2)23(22)25(33)27-24/h8-9,16-17,32H,3-7,10-15H2,1-2H3,(H,26,27,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169631
(3-Cyclopentyl-5-(2-ethoxy-phenyl)-6H-isoxazolo[4,5...)Show InChI InChI=1S/C18H19N3O3/c1-2-23-13-10-6-5-9-12(13)17-19-15-14(11-7-3-4-8-11)21-24-16(15)18(22)20-17/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169651
(8-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imid...)Show SMILES CCOc1ccccc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169641
(2-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-4-6-20-24-16(3)21-23(31)25-22(26-29(20)21)18-15-17(7-8-19(18)34-5-2)35(32,33)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Type 1 InsP3 receptor isoform S2
(Sus scrofa) | BDBM50075183
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine... |
Bioorg Med Chem Lett 5: 831-834 (1995)
Article DOI: 10.1016/0960-894X(95)00120-I BindingDB Entry DOI: 10.7270/Q2ST7PTQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169646
(6-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1nc(CC)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-10-29-22-20(18(6-2)26-29)23(30)25-21(24-22)17-15-16(8-9-19(17)33-7-3)34(31,32)28-13-11-27(4)12-14-28/h8-9,15H,5-7,10-14H2,1-4H3,(H,24,25,30) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111899
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169635
(7-Cyclopentyl-2-(2-ethoxy-phenyl)-5-methyl-3H-imid...)Show SMILES CCOc1ccccc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-19(24)16-12(2)20-18(23(16)22-17)13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169643
(8-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-24-22(18-6-4-5-7-18)26-17(2)31(24)25(33)28-23/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169648
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)Show SMILES CCOc1ccc(cc1-c1nc2c(noc2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-2-34-19-8-7-17(36(32,33)29-11-9-28(10-12-29)13-14-30)15-18(19)23-25-21-20(16-5-3-4-6-16)27-35-22(21)24(31)26-23/h7-8,15-16,30H,2-6,9-14H2,1H3,(H,25,26,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169624
(1-Cyclopentyl-6-[2-ethoxy-5-(4-methyl-piperazine-1...)Show SMILES CCOc1ccc(cc1-c1nc2n(nc(CC)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H34N6O4S/c1-4-20-22-24(31(28-20)17-8-6-7-9-17)26-23(27-25(22)32)19-16-18(10-11-21(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,26,27,32) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169645
(2-(2-Ethoxy-phenyl)-6-methyl-8-propyl-3H-imidazo[1...)Show InChI InChI=1S/C17H20N4O2/c1-4-8-13-16-19-15(20-17(22)21(16)11(3)18-13)12-9-6-7-10-14(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50111899
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AG
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 |
Bioorg Med Chem Lett 12: 865-8 (2002)
BindingDB Entry DOI: 10.7270/Q21V5D80 |
More data for this Ligand-Target Pair | |
Vitamin D-binding protein
(Rattus norvegicus) | BDBM36717
(1,25(OH)2D3)Show SMILES CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C |r| Show InChI InChI=1S/C30H50O/c1-21-18-23(3)24(4)26(19-21)12-8-11-25-15-17-30(7)27(20-25)13-14-28(30)22(2)10-9-16-29(5,6)31/h8,11-12,21-23,25,27-28,31H,4,9-10,13-20H2,1-3,5-7H3/b11-8+,26-12-/t21-,22?,23-,25?,27?,28?,30?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Ligand Pharmaceuticals, Inc
| Assay Description DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL). |
Chem Biol 6: 265-75 (1999)
Article DOI: 10.1016/S1074-5521(99)80072-6 BindingDB Entry DOI: 10.7270/Q2NC5ZJZ |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50169651
(8-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imid...)Show SMILES CCOc1ccccc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 1 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327527
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169628
(9-Cyclopentyl-2-(2-ethoxy-phenyl)-1,9-dihydro-puri...)Show InChI InChI=1S/C18H20N4O2/c1-2-24-14-10-6-5-9-13(14)16-20-17-15(18(23)21-16)19-11-22(17)12-7-3-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,21,23) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50169640
(5-(2-Ethoxy-phenyl)-3-propyl-1,6-dihydro-pyrazolo[...)Show InChI InChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 3900-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD |
More data for this Ligand-Target Pair | |