BDBM22111 (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol::(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol::5'-Methylthioado::5-methylthioadenosine::CHEMBL277041::MTA

SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

InChI Key: InChIKey=WUUGFSXJNOTRMR-UHFFFAOYSA-N

Data: 13 KI  4 IC50  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 18 hits for monomerid = 22111   

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)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Methylosome protein 50/Protein arginine N-methyltransferase 5 (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a
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Spermidine synthase (malaria parasite P. falciparum)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) 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)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		240	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)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		281	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)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		1.18E+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)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		8.20E+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 A2b (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Indolethylamine N-methyltransferase (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Fatty acid synthase (Human)	BDBM22111 ((2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfa...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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