new BindingDB logo
myBDB logout

BDBM14393 5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one::5-(5-Acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one::Sildenafil 5-methyl ketone analogue 2

SMILES: CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O

InChI Key: InChIKey=INLBUQIADGPECI-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 14393   
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
Phosphodiesterase Type 6 (PDE6)


(Canis lupus familiaris (Dog))
BDBM14393
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-eth...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O
Show InChI InChI=1S/C23H30N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h10-11,16H,5-9,12-13H2,1-4H3,(H,25,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 840n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14393
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-eth...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O
Show InChI InChI=1S/C23H30N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h10-11,16H,5-9,12-13H2,1-4H3,(H,25,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 5.5n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)