Found 14 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 |
|---|
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178874
(7-(2-hydroxy-3-(naphthalen-2-yloxy)propyl)-8-merca...)Show SMILES Cn1c2[nH]c(=S)n(CC(O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-13(24)10-27-14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13,24H,9-10H2,1H3,(H,20,28)(H,21,25,26) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178873
(4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)p...)Show SMILES OC(=O)c1ccc(CSc2nc(cc(c2C#N)C(F)(F)F)-c2cccs2)cc1 Show InChI InChI=1S/C19H11F3N2O2S2/c20-19(21,22)14-8-15(16-2-1-7-27-16)24-17(13(14)9-23)28-10-11-3-5-12(6-4-11)18(25)26/h1-8H,10H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178877
(2-(6-amino-3,5-dicyano-4-phenylpyridin-2-ylthio)-N...)Show SMILES Nc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178873
(4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)p...)Show SMILES OC(=O)c1ccc(CSc2nc(cc(c2C#N)C(F)(F)F)-c2cccs2)cc1 Show InChI InChI=1S/C19H11F3N2O2S2/c20-19(21,22)14-8-15(16-2-1-7-27-16)24-17(13(14)9-23)28-10-11-3-5-12(6-4-11)18(25)26/h1-8H,10H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178871
(4-(5-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\c2sc3CCCCc3c2C#N)o1 Show InChI InChI=1S/C21H16N2O3S/c22-11-17-16-3-1-2-4-19(16)27-20(17)23-12-15-9-10-18(26-15)13-5-7-14(8-6-13)21(24)25/h5-10,12H,1-4H2,(H,24,25)/b23-12+ | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178871
(4-(5-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\c2sc3CCCCc3c2C#N)o1 Show InChI InChI=1S/C21H16N2O3S/c22-11-17-16-3-1-2-4-19(16)27-20(17)23-12-15-9-10-18(26-15)13-5-7-14(8-6-13)21(24)25/h5-10,12H,1-4H2,(H,24,25)/b23-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178876
(5-(2-(2-methoxyphenylamino)thiazol-4-yl)-4-methylt...)Show InChI InChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)10-7-20-14(18-10)17-9-5-3-4-6-11(9)19-2/h3-7H,1-2H3,(H2,15,16)(H,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178872
(2-(5-methyl-thiophen-2-yl)-quinoline-4-carboxylic ...)Show SMILES Cc1ccc(s1)-c1cc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1 Show InChI InChI=1S/C21H17N3O3S2/c1-13-6-11-20(28-13)19-12-17(16-4-2-3-5-18(16)24-19)21(25)23-14-7-9-15(10-8-14)29(22,26)27/h2-12H,1H3,(H,23,25)(H2,22,26,27) | PDB
MMDB
KEGG
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178876
(5-(2-(2-methoxyphenylamino)thiazol-4-yl)-4-methylt...)Show InChI InChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)10-7-20-14(18-10)17-9-5-3-4-6-11(9)19-2/h3-7H,1-2H3,(H2,15,16)(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178875
(4-[5-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(o1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C21H16N2O4S/c24-19-17-13-3-1-2-4-16(13)28-20(17)23-18(22-19)15-10-9-14(27-15)11-5-7-12(8-6-11)21(25)26/h5-10H,1-4H2,(H,25,26)(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178875
(4-[5-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(o1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C21H16N2O4S/c24-19-17-13-3-1-2-4-16(13)28-20(17)23-18(22-19)15-10-9-14(27-15)11-5-7-12(8-6-11)21(25)26/h5-10H,1-4H2,(H,25,26)(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50178877
(2-(6-amino-3,5-dicyano-4-phenylpyridin-2-ylthio)-N...)Show SMILES Nc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28) | PDB
MMDB
KEGG
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE1 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178872
(2-(5-methyl-thiophen-2-yl)-quinoline-4-carboxylic ...)Show SMILES Cc1ccc(s1)-c1cc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1 Show InChI InChI=1S/C21H17N3O3S2/c1-13-6-11-20(28-13)19-12-17(16-4-2-3-5-18(16)24-19)21(25)23-14-7-9-15(10-8-14)29(22,26)27/h2-12H,1H3,(H,23,25)(H2,22,26,27) | PDB
MMDB
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KEGG
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50178874
(7-(2-hydroxy-3-(naphthalen-2-yloxy)propyl)-8-merca...)Show SMILES Cn1c2[nH]c(=S)n(CC(O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-13(24)10-27-14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13,24H,9-10H2,1H3,(H,20,28)(H,21,25,26) | 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 | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 16: 1371-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.046
BindingDB Entry DOI: 10.7270/Q2B56J9C |
More data for this
Ligand-Target Pair | |
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