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BDBM50170540 6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyridine-2-carboxylic acid (9-hydroxycarbamoyl-nonyl)-amide::CHEMBL363668

SMILES: CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCCCCCCCCCC(=O)NO

InChI Key: InChIKey=CTHANOOVFUWOTA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50170540   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50170540
PNG
(6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCCCCCCCCCC(=O)NO
Show InChI InChI=1S/C27H37N3O6/c1-3-20-16-22(19(2)31)24(32)17-25(20)36-18-21-12-11-13-23(29-21)27(34)28-15-10-8-6-4-5-7-9-14-26(33)30-35/h11-13,16-17,32,35H,3-10,14-15,18H2,1-2H3,(H,28,34)(H,30,33)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 5


Bioorg Med Chem Lett 15: 4085-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.016
BindingDB Entry DOI: 10.7270/Q22B8XKH
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50170540
PNG
(6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCCCCCCCCCC(=O)NO
Show InChI InChI=1S/C27H37N3O6/c1-3-20-16-22(19(2)31)24(32)17-25(20)36-18-21-12-11-13-23(29-21)27(34)28-15-10-8-6-4-5-7-9-14-26(33)30-35/h11-13,16-17,32,35H,3-10,14-15,18H2,1-2H3,(H,28,34)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.016
BindingDB Entry DOI: 10.7270/Q22B8XKH
More data for this
Ligand-Target Pair