BDBM50084860 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2)::CHEMBL413079

SMILES: COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1

InChI Key: InChIKey=FWLDDFYHEQMIGG-UHFFFAOYSA-N

Data: 25 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 25 hits for monomerid = 50084860   

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 A2a (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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 A1 (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		900	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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		900	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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		900	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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		900	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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		900	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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+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 A1 (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+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 A1 (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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 A2b (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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 A2b (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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 A2b (Human)	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) 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