BDBM50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine

SMILES: Cn1cnc2c1C(=O)NC(=O)N2C

InChI Key: InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N

Data: 13 KI  5 IC50

PDB links: 4 PDB IDs match this monomer.

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 18 hits for monomerid = 50014260   

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
Platelet-derived growth factor receptor alpha/beta (Mouse)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) 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
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Adenosine receptor A3 (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) 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
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Adenosine receptor A2b (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+5	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 A1 (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Bovine)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	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 A2a (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	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 A1 (Rat)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	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)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	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)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	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
Platelet-derived growth factor receptor alpha/beta (Mouse)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+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
Adenosine receptor A3 (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		1.03E+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
Adenosine receptor A1 (Rat)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		1.05E+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
Adenosine receptor A1 (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		1.05E+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
Adenosine receptor A1 (Rat)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		1.05E+5	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 A2a/A2b (Rat)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.50E+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
Adenosine receptor A2a/A2b (Rat)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+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
Adenosine receptor A2a (Human)	BDBM50014260 (theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.50E+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