BDBM50037440 (E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::CHEMBL16997

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

InChI Key: InChIKey=UGCOFEOEBHUEHA-UHFFFAOYSA-N

Data: 14 KI

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 14 hits for monomerid = 50037440   

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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Adenosine receptor A1 (Rat)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		15	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		30	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		60	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		60	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		140	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		190	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		800	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		800	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)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		800	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 (Rat)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+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 A3 (Rat)	BDBM50037440 (3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+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