BDBM50199293 3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL414157::Tonapofylline

SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2

InChI Key: InChIKey=ZWTVVWUOTJRXKM-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50199293   

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)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) 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 A1 (Rat)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) 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 (Human)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		7	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)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		90	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)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		2.44E+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)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		6.40E+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 (Human)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) 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 A3 (Human)	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) 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