Found 9 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)) | BDBM50123474
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C24H26ClN7O3/c1-3-32-22-17(13-28-32)20-16(12-27-22)23(31-8-6-15(7-9-31)24(33)34)30-29-21(20)26-11-14-4-5-19(35-2)18(25)10-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,26,29)(H,33,34) | 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 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50123477
(CHEMBL344018 | N*9*-(3-Chloro-4-methoxy-benzyl)-3-...)Show SMILES CCn1ncc2c1ncc1c(NCc3ccncc3)nnc(NCc3ccc(OC)c(Cl)c3)c21 Show InChI InChI=1S/C24H23ClN8O/c1-3-33-24-18(14-30-33)21-17(13-29-24)22(27-11-15-6-8-26-9-7-15)31-32-23(21)28-12-16-4-5-20(34-2)19(25)10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,31)(H,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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50123473
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)-n1cnc(c1)C(=O)NC Show InChI InChI=1S/C23H22ClN9O2/c1-4-33-21-15(10-29-33)19-14(9-27-21)22(32-11-17(28-12-32)23(34)25-2)31-30-20(19)26-8-13-5-6-18(35-3)16(24)7-13/h5-7,9-12H,4,8H2,1-3H3,(H,25,34)(H,26,30) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50089814
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50123475
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(O)CC1 Show InChI InChI=1S/C23H26ClN7O2/c1-3-31-22-17(13-27-31)20-16(12-26-22)23(30-8-6-15(32)7-9-30)29-28-21(20)25-11-14-4-5-19(33-2)18(24)10-14/h4-5,10,12-13,15,32H,3,6-9,11H2,1-2H3,(H,25,28) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098220
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | |
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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |