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PDB code 1XM6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50308512
PNG
((5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-ox...)
Show SMILES CCCOc1cc(ccc1OC)[C@]1(C)CNC(=O)O1
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem 18: 2204-18 (2010)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)

  (398/398 = 100%)
(Homo sapiens (human))
BDBM14772
PNG
((R,S)-Mesopram | 5-(4-methoxy-3-propoxy-phenyl)-5-...)
Show SMILES CCCOc1cc(ccc1OC)C1(C)CNC(=O)O1
Show InChI InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
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Article
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n/an/a 420n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output