Found 151 hits Enz. Inhib. hit(s) with all data for entry = 50002433 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)) | BDBM50088373
(CHEBI:46295 | Vardenafil | cid_110634)Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458485
(CHEMBL4216635)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM50458479
(CHEMBL4212186)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-16-19-20(28(3)26-16)23(30)25-21(24-19)15-12-13(7-9-17(15)32-5-2)11-14-8-10-18(33-14)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,24,25,30) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE6C (unknown origin) using FAM-cGMP as substrate by fluorescence assay |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458500
(CHEMBL4209220)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N5O4/c1-4-6-20-25-14(3)21-24(31)26-22(27-29(20)21)18-13-17(11-12-19(18)33-5-2)15-7-9-16(10-8-15)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458502
(CHEMBL4203481)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Nc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C24H26N6O4/c1-4-6-18-20-21(30(3)28-18)24(32)27-22(26-20)17-13-16(11-12-19(17)34-5-2)25-15-9-7-14(8-10-15)23(31)29-33/h7-13,25,33H,4-6H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458490
(CHEMBL4217166)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)c1ccc(s1)C(=O)NO Show InChI InChI=1S/C23H23N5O5S/c1-4-6-14-18-19(28(3)26-14)23(31)25-21(24-18)13-11-12(7-8-15(13)33-5-2)20(29)16-9-10-17(34-16)22(30)27-32/h7-11,32H,4-6H2,1-3H3,(H,27,30)(H,24,25,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458496
(CHEMBL4214699)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(o2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O5/c1-4-6-16-19-20(28(3)26-16)23(30)25-21(24-19)15-12-13(7-9-17(15)32-5-2)11-14-8-10-18(33-14)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,24,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458487
(CHEMBL4214135)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458482
(CHEMBL4208487)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(CC2CC(C2)C(=O)NO)ccc1OCC |(23.21,-13.66,;22.75,-12.19,;21.24,-11.86,;20.77,-10.39,;21.69,-9.15,;20.79,-7.9,;21.28,-6.44,;19.32,-8.37,;19.31,-9.91,;17.99,-10.68,;16.66,-9.91,;16.65,-8.37,;17.99,-7.6,;17.99,-6.06,;15.32,-10.68,;15.33,-12.23,;13.99,-13,;13.99,-14.54,;15.32,-15.31,;15.72,-16.79,;17.21,-16.4,;16.81,-14.91,;18.53,-17.17,;19.87,-16.4,;18.53,-18.71,;17.2,-19.47,;12.66,-12.23,;12.66,-10.69,;13.99,-9.92,;13.98,-8.38,;12.65,-7.61,;12.64,-6.07,)| Show InChI InChI=1S/C23H29N5O4/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)17-12-14(7-8-18(17)32-5-2)9-15-10-16(11-15)22(29)27-31/h7-8,12,15-16,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,25,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC subst... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458491
(CHEMBL4202521)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(s1)C(=O)NO Show InChI InChI=1S/C22H23N5O4S/c1-4-6-14-18-19(27(3)25-14)22(29)24-20(23-18)13-11-12(7-8-15(13)31-5-2)16-9-10-17(32-16)21(28)26-30/h7-11,30H,4-6H2,1-3H3,(H,26,28)(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
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
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC subst... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458480
(CHEMBL4212445)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(O)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H27N5O5/c1-4-6-18-20-21(30(3)28-18)25(33)27-23(26-20)17-13-16(11-12-19(17)35-5-2)22(31)14-7-9-15(10-8-14)24(32)29-34/h7-13,22,31,34H,4-6H2,1-3H3,(H,29,32)(H,26,27,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458493
(CHEMBL4204952)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C25H27N5O4/c1-4-6-19-22-23(30(3)28-19)25(32)27-24(26-22)18-14-17(11-12-20(18)34-5-2)16-9-7-15(8-10-16)13-21(31)29-33/h7-12,14,33H,4-6,13H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458479
(CHEMBL4212186)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-16-19-20(28(3)26-16)23(30)25-21(24-19)15-12-13(7-9-17(15)32-5-2)11-14-8-10-18(33-14)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,24,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50380399
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458499
(CHEMBL4213615)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H27N5O4/c1-4-6-21-26-15(3)22-25(32)27-23(28-30(21)22)19-14-17(9-12-20(19)34-5-2)13-16-7-10-18(11-8-16)24(31)29-33/h7-12,14,33H,4-6,13H2,1-3H3,(H,29,31)(H,27,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458486
(CHEMBL4210653)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C1=CCC(CC(=O)NO)CC1 |t:26| Show InChI InChI=1S/C25H31N5O4/c1-4-6-19-22-23(30(3)28-19)25(32)27-24(26-22)18-14-17(11-12-20(18)34-5-2)16-9-7-15(8-10-16)13-21(31)29-33/h9,11-12,14-15,33H,4-8,10,13H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50380399
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458483
(CHEMBL4212866)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458479
(CHEMBL4212186)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-16-19-20(28(3)26-16)23(30)25-21(24-19)15-12-13(7-9-17(15)32-5-2)11-14-8-10-18(33-14)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458476
(CHEMBL4207538)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458498
(CHEMBL4207409)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C1=CCC(CC1)C(=O)NO |t:26| Show InChI InChI=1S/C24H29N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h7,11-13,15,32H,4-6,8-10H2,1-3H3,(H,28,30)(H,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458495
(CHEMBL4209025)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(C(=O)NO)c(F)c2)ccc1OCC Show InChI InChI=1S/C25H26FN5O4/c1-4-6-19-21-22(31(3)29-19)25(33)28-23(27-21)17-12-14(8-10-20(17)35-5-2)11-15-7-9-16(18(26)13-15)24(32)30-34/h7-10,12-13,34H,4-6,11H2,1-3H3,(H,30,32)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458492
(CHEMBL4207836)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(OCc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H27N5O5/c1-4-6-19-21-22(30(3)28-19)25(32)27-23(26-21)18-13-17(11-12-20(18)34-5-2)35-14-15-7-9-16(10-8-15)24(31)29-33/h7-13,33H,4-6,14H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458481
(CHEMBL4218554)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO Show InChI InChI=1S/C23H30N6O4/c1-4-6-17-19-20(28(3)26-17)23(31)25-21(24-19)16-13-15(7-8-18(16)33-5-2)29-11-9-14(10-12-29)22(30)27-32/h7-8,13-14,32H,4-6,9-12H2,1-3H3,(H,27,30)(H,24,25,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458491
(CHEMBL4202521)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(s1)C(=O)NO Show InChI InChI=1S/C22H23N5O4S/c1-4-6-14-18-19(27(3)25-14)22(29)24-20(23-18)13-11-12(7-8-15(13)31-5-2)16-9-10-17(32-16)21(28)26-30/h7-11,30H,4-6H2,1-3H3,(H,26,28)(H,23,24,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458485
(CHEMBL4216635)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,25,26,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458484
(CHEMBL4216348)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(cc2OC)C(=O)NO)ccc1OCC Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-22-23(31(3)29-19)26(33)28-24(27-22)18-13-15(8-11-20(18)36-6-2)12-16-9-10-17(25(32)30-34)14-21(16)35-4/h8-11,13-14,34H,5-7,12H2,1-4H3,(H,30,32)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458494
(CHEMBL4206296)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)[C@@H]1CC[C@@H](CC1)C(=O)NO |r,wD:26.32,23.25,(29.43,-23.41,;29.03,-21.92,;27.53,-21.6,;27.05,-20.14,;27.96,-18.89,;27.05,-17.64,;27.53,-16.18,;25.59,-18.12,;25.59,-19.66,;24.25,-20.43,;22.92,-19.66,;22.92,-18.12,;24.25,-17.35,;24.25,-15.81,;21.58,-20.43,;21.58,-21.97,;20.25,-22.74,;18.92,-21.97,;18.92,-20.43,;20.25,-19.66,;20.25,-18.12,;18.92,-17.35,;18.92,-15.81,;20.25,-24.28,;21.58,-25.05,;21.58,-26.59,;20.25,-27.36,;18.92,-26.59,;18.92,-25.05,;20.25,-28.9,;21.58,-29.67,;18.92,-29.67,;17.58,-28.9,)| Show InChI InChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31)/t14-,15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458478
(CHEMBL4217821)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H27N5O4/c1-4-6-19-21-22(30(3)28-19)25(32)27-23(26-21)18-14-16(9-12-20(18)34-5-2)13-15-7-10-17(11-8-15)24(31)29-33/h7-12,14,33H,4-6,13H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458494
(CHEMBL4206296)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)[C@@H]1CC[C@@H](CC1)C(=O)NO |r,wD:26.32,23.25,(29.43,-23.41,;29.03,-21.92,;27.53,-21.6,;27.05,-20.14,;27.96,-18.89,;27.05,-17.64,;27.53,-16.18,;25.59,-18.12,;25.59,-19.66,;24.25,-20.43,;22.92,-19.66,;22.92,-18.12,;24.25,-17.35,;24.25,-15.81,;21.58,-20.43,;21.58,-21.97,;20.25,-22.74,;18.92,-21.97,;18.92,-20.43,;20.25,-19.66,;20.25,-18.12,;18.92,-17.35,;18.92,-15.81,;20.25,-24.28,;21.58,-25.05,;21.58,-26.59,;20.25,-27.36,;18.92,-26.59,;18.92,-25.05,;20.25,-28.9,;21.58,-29.67,;18.92,-29.67,;17.58,-28.9,)| Show InChI InChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31)/t14-,15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM198121
(HPOB)Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458478
(CHEMBL4217821)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H27N5O4/c1-4-6-19-21-22(30(3)28-19)25(32)27-23(26-21)18-14-16(9-12-20(18)34-5-2)13-15-7-10-17(11-8-15)24(31)29-33/h7-12,14,33H,4-6,13H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458502
(CHEMBL4203481)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Nc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C24H26N6O4/c1-4-6-18-20-21(30(3)28-18)24(32)27-22(26-20)17-13-16(11-12-19(17)34-5-2)25-15-9-7-14(8-10-15)23(31)29-33/h7-13,25,33H,4-6H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458476
(CHEMBL4207538)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50458492
(CHEMBL4207836)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(OCc2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H27N5O5/c1-4-6-19-21-22(30(3)28-19)25(32)27-23(26-21)18-13-17(11-12-20(18)34-5-2)35-14-15-7-9-16(10-8-15)24(31)29-33/h7-13,33H,4-6,14H2,1-3H3,(H,29,31)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458488
(CHEMBL4204146)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(cc2F)C(=O)NO)ccc1OCC Show InChI InChI=1S/C25H26FN5O4/c1-4-6-19-21-22(31(3)29-19)25(33)28-23(27-21)17-12-14(7-10-20(17)35-5-2)11-15-8-9-16(13-18(15)26)24(32)30-34/h7-10,12-13,34H,4-6,11H2,1-3H3,(H,30,32)(H,27,28,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458480
(CHEMBL4212445)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(O)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H27N5O5/c1-4-6-18-20-21(30(3)28-18)25(33)27-23(26-20)17-13-16(11-12-19(17)35-5-2)22(31)14-7-9-15(10-8-14)24(32)29-34/h7-13,22,31,34H,4-6H2,1-3H3,(H,29,32)(H,26,27,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50458487
(CHEMBL4214135)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ... |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | |