BDBM50118217 ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE::ATP-gammaS::ATPgammaS::CHEMBL131890::PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N

InChI Key: InChIKey=NLTUCYMLOPLUHL-UHFFFAOYSA-N

Data: 12 EC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50118217   

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
P2Y purinoceptor 2 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a
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P2Y purinoceptor 11 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
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P2Y purinoceptor 1 (Wild turkey)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
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P2Y purinoceptor 11 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
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P2Y purinoceptor 2 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a
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P2X purinoceptor 2 (Rat)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
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P2X purinoceptor 4 (Rat)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
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P2X purinoceptor 6 (Rat)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
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P2X purinoceptor 1 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
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P2X purinoceptor 5 (Rat)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
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P2X purinoceptor 3 (Human)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
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P2Y purinoceptor 12 (Rat)	BDBM50118217 (PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | ATPga...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
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