BDBM50331852 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE::8-Chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-Chloro-theophylline::CHEMBL88611

SMILES Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O

InChI Key InChIKey=RYIGNEOBDRVTHA-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50331852   

TargetEndochitinase(Saccharomyces cerevisiae)
University Of Dundee

Curated by ChEMBL
LigandPNGBDBM50331852(8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...)
Affinity DataKi:  3.40E+5nMAssay Description:Inhibition of Saccharomyces cerevisiae CTS1More data for this Ligand-Target Pair
TargetAcidic mammalian chitinase(Homo sapiens (Human))
University Of Dundee

Curated by ChEMBL
LigandPNGBDBM50331852(8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...)
Affinity DataIC50: >2.50E+6nMAssay Description:Inhibition of human chitinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndochitinase A1(Neosartorya fumigata (Aspergillus fumigatus))
University Of Dundee

Curated by ChEMBL
LigandPNGBDBM50331852(8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...)
Affinity DataIC50:  4.10E+5nMAssay Description:Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed