BDBM10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine)

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

InChI Key: InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Data: 177 KI  25 IC50  4 Kd  1 EC50

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 207 hits for monomerid = 10847   

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 B1 (Neosartorya fumigata)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	5.5	37
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cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.86E+5	n/a	n/a	n/a	n/a	7.5	30
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Chitotriosidase-1 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	5.5	30
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Replicase polyprotein 1ab (SARS-CoV)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Palmitoleoyl-protein carboxylesterase NOTUM (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.00E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.80E+6	n/a	n/a	n/a	n/a	n/a
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Phospholipase A-2-activating protein (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Alkaline phosphatase, tissue-nonspecific isozyme (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Intestinal-type alkaline phosphatase (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.78E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	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
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		14	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
Adenosine receptor A1 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		700	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
Adenosine receptor A2a/A2b (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.31E+3	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
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.71E+3	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
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.71E+3	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
Adenosine receptor A1/A2a/A2b/A3 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.00E+3	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
Adenosine receptor A2b (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A1 (Bovine)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	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
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		4.20E+3	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
Adenosine receptor A2a (Human)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		4.20E+3	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
Adenosine receptor A1/A2a/A2b/A3 (Rat)	BDBM10847 (Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...) Show SMILES Show InChI	GoogleScholar	UniChem		4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair