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BDBM50357250 CHEMBL1916476

SMILES: COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1

InChI Key: InChIKey=AJNYXAIQQHFCIM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357250   
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))
BDBM50357250
PNG
(CHEMBL1916476)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1 |(6.09,-33.21,;4.75,-32.45,;3.42,-33.22,;2.07,-32.46,;.75,-33.24,;.75,-34.77,;2.09,-35.54,;3.42,-34.77,;-.57,-35.55,;-1.9,-34.79,;-3.22,-35.55,;-4.55,-34.77,;-4.55,-33.23,;-3.22,-32.46,;-3.22,-30.92,;-1.88,-30.15,;-.55,-30.92,;-.55,-32.46,;.78,-30.15,;.78,-31.69,;-5.88,-35.55,;-7.22,-34.79,;-5.88,-37.09,;-4.55,-37.85,;-4.55,-39.4,;-5.88,-40.17,;-7.21,-39.39,;-8.54,-40.16,;-8.55,-41.7,;-9.88,-42.46,;-7.21,-42.47,;-5.87,-41.7,;-3.23,-37.09,;-1.9,-37.86,;-.57,-37.09,)|
Show InChI InChI=1S/C22H25F3N6O4/c1-34-18-7-2-13(11-26-18)16-10-17-19(30-29-16)20(27-14-3-5-15(32)6-4-14)28-21(33)31(17)8-9-35-12-22(23,24)25/h2,7,10-11,14-15,32H,3-6,8-9,12H2,1H3,(H,27,28,33)
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Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair