null
SMILES: CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
InChI Key: InChIKey=KZFHUILKKFVOMB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50169641 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | 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
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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 | |
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 | |