Found 15 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)) | BDBM50141580
(4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-3-hydro...)Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)cnc12)C#N Show InChI InChI=1S/C21H20ClN3O2/c1-3-15-6-14(9-23)7-17-20(15)25-11-16(12-26)21(17)24-10-13-4-5-19(27-2)18(22)8-13/h4-8,11,26H,3,10,12H2,1-2H3,(H,24,25) | 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 | 0.0500 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141584
(4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-quinoli...)Show InChI InChI=1S/C20H18ClN3O/c1-3-15-8-14(11-22)9-16-18(6-7-23-20(15)16)24-12-13-4-5-19(25-2)17(21)10-13/h4-10H,3,12H2,1-2H3,(H,23,24) | 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 | 0.400 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141588
(4-(3-Chloro-4-methoxy-benzylamino)-3-hydroxymethyl...)Show InChI InChI=1S/C19H16ClN3O2/c1-25-18-5-3-13(7-16(18)20)9-23-19-14(11-24)10-22-17-4-2-12(8-21)6-15(17)19/h2-7,10,24H,9,11H2,1H3,(H,22,23) | 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 | 0.480 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141586
(4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-8-ethyl...)Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccccn1)C#N Show InChI InChI=1S/C27H24ClN5O2/c1-3-19-10-18(13-29)11-21-25(19)32-16-22(27(34)33-15-20-6-4-5-9-30-20)26(21)31-14-17-7-8-24(35-2)23(28)12-17/h4-12,16H,3,14-15H2,1-2H3,(H,31,32)(H,33,34) | 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 | 0.550 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141583
(4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-8-ethyl...)Show SMILES CCOC(=O)c1cnc2c(CC)cc(cc2c1NCc1ccc(OC)c(Cl)c1)C#N Show InChI InChI=1S/C23H22ClN3O3/c1-4-16-8-15(11-25)9-17-21(16)27-13-18(23(28)30-5-2)22(17)26-12-14-6-7-20(29-3)19(24)10-14/h6-10,13H,4-5,12H2,1-3H3,(H,26,27) | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141587
(4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-quinoli...)Show SMILES COc1ccc(CNc2c(cnc3ccc(cc23)C#N)C(=O)NCc2ccccn2)cc1Cl Show InChI InChI=1S/C25H20ClN5O2/c1-33-23-8-6-17(11-21(23)26)13-30-24-19-10-16(12-27)5-7-22(19)29-15-20(24)25(32)31-14-18-4-2-3-9-28-18/h2-11,15H,13-14H2,1H3,(H,29,30)(H,31,32) | 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 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141582
(4-(3-Chloro-4-methoxy-benzylamino)-quinoline-6-car...)Show InChI InChI=1S/C18H14ClN3O/c1-23-18-5-3-13(9-15(18)19)11-22-17-6-7-21-16-4-2-12(10-20)8-14(16)17/h2-9H,11H2,1H3,(H,21,22) | 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 | 1.40 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
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 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141579
(4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-quinoli...)Show SMILES CCOC(=O)c1cnc2ccc(cc2c1NCc1ccc(OC)c(Cl)c1)C#N Show InChI InChI=1S/C21H18ClN3O3/c1-3-28-21(26)16-12-24-18-6-4-13(10-23)8-15(18)20(16)25-11-14-5-7-19(27-2)17(22)9-14/h4-9,12H,3,11H2,1-2H3,(H,24,25) | 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 | 4 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141585
(4-(3-Chloro-4-methoxy-benzylamino)-6-trifluorometh...)Show SMILES CCOC(=O)c1cnc2ccc(cc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-6-5-13(21(23,24)25)9-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | 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 | 73 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141581
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | 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 | 160 | 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 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
O43924/P16499/P18545/P35913/P51160/Q13956
(Homo sapiens (Human)) | BDBM50141581
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | 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 6 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50141581
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against phosphodiesterase 3 was tested |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50141581
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | 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 2 |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50141581
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | 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 1 of bovine heart |
Bioorg Med Chem Lett 14: 1577-80 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.090 BindingDB Entry DOI: 10.7270/Q2G1607Q |
More data for this Ligand-Target Pair | |