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BDBM50170559 CHEMBL187495::Octanoic acid 2-{[6-(4-acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyridine-2-carbonyl]-amino}-2-carboxy-ethyl ester

SMILES: CCCCCCCC(=O)OCC(NC(=O)c1cccc(COc2cc(O)c(cc2CC)C(C)=O)n1)C(O)=O

InChI Key: InChIKey=ZNXJIHCNBDIFBD-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170559   
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))
BDBM50170559
PNG
(CHEMBL187495 | Octanoic acid 2-{[6-(4-acetyl-2-eth...)
Show SMILES CCCCCCCC(=O)OCC(NC(=O)c1cccc(COc2cc(O)c(cc2CC)C(C)=O)n1)C(O)=O
Show InChI InChI=1/C28H36N2O8/c1-4-6-7-8-9-13-26(33)38-17-23(28(35)36)30-27(34)22-12-10-11-20(29-22)16-37-25-15-24(32)21(18(3)31)14-19(25)5-2/h10-12,14-15,23,32H,4-9,13,16-17H2,1-3H3,(H,30,34)(H,35,36)
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Similars

Article
PubMed
n/an/a 3.28E+3n/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