BDBM50018162 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O::4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid::CHEMBL418333

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=IWALGNIFYOBRKC-UHFFFAOYSA-N

Data: 22 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 24 hits for monomerid = 50018162   

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
Adenosine receptor A1 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Bovine)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		140	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		140	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		183	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		183	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		210	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		210	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		210	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		250	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		250	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		250	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		430	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)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Guinea pig)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		710	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 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		790	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 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		790	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 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40E+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 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40E+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
Adenosine receptor A2a/A2b (Human)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90E+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/A2b (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM50018162 (CHEMBL418333 | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...) Show SMILES Show InChI	GoogleScholar	UniChem		9.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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