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

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 = 50331852   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endochitinase A1 (Neosartorya fumigata)	BDBM50331852 (8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Human)	BDBM50331852 (8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endochitinase (Baker's yeast)	BDBM50331852 (8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...) Show SMILES Show InChI	GoogleScholar	UniChem		3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair