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BDBM50028192 (S)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL290644

SMILES: C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=KYHQZNGJUGFTGR-LURJTMIESA-N

Data: 3 KI

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 3 hits for monomerid = 50028192   
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))
BDBM50028192
PNG
((S)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6...)
Show SMILES C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung high-affinity cGMP phosphodiesterases (0.5-2 microM/L)


J Med Chem 26: 1514-8 (1983)


BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50028192
PNG
((S)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6...)
Show SMILES C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung low-affinity cGMP phosphodiesterases (10-50 microM/L)


J Med Chem 26: 1514-8 (1983)


BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50028192
PNG
((S)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6...)
Show SMILES C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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antibodypedia
antibodypedia
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CHEMBL
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UniChem

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PubMed
1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against catechol O-methyltransferase


J Med Chem 26: 1514-8 (1983)


BindingDB Entry DOI: 10.7270/Q21Z43F5
More data for this
Ligand-Target Pair