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BDBM50040373 CHEMBL344720::N-(1,3-Bis-cyclopropylmethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonamide

SMILES: Cn1c(NS(=O)(=O)c2ccccc2)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12

InChI Key: InChIKey=XGQMAYDPDYXFKL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040373   
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))
BDBM50040373
PNG
(CHEMBL344720 | N-(1,3-Bis-cyclopropylmethyl-7-meth...)
Show SMILES Cn1c(NS(=O)(=O)c2ccccc2)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C20H23N5O4S/c1-23-16-17(21-19(23)22-30(28,29)15-5-3-2-4-6-15)24(11-13-7-8-13)20(27)25(18(16)26)12-14-9-10-14/h2-6,13-14H,7-12H2,1H3,(H,21,22)
PDB
MMDB

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PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM.


J Med Chem 37: 476-85 (1994)


BindingDB Entry DOI: 10.7270/Q2P26X6N
More data for this
Ligand-Target Pair