BDBM50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC

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

InChI Key: InChIKey=FIQGIOAELHTLHM-UHFFFAOYSA-N

Data: 79 KI  1 Kd

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 80 hits for monomerid = 50207816   

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 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Sheep)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.200	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 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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P2Y purinoceptor 2 (Chinese hamster)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rabbit)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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 A1 (Bovine)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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 A1 (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Guinea pig)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		1.48	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		2	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		3.5	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rabbit)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		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 (Guinea pig)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		5.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		5.80	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		6.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		7.30	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 A2b (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		7.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Guinea pig)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Guinea pig)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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 A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a/A2b (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a/A2b (Rat)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		21	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		24	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 A2a (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		24	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		25.6	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)	BDBM50207816 (N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...) Show SMILES Show InChI	GoogleScholar	UniChem		28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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