BDBM18135 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid::AMPPCP::ATP,Beta Gamma-me::CHEMBL133463::adenylylmethylenediphosphonate

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

InChI Key: InChIKey=UFZTZBNSLXELAL-UHFFFAOYSA-N

Data: 4 KI  1 IC50  1 ITC

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 4 hits for monomerid = 18135   

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
P2X purinoceptor 3 (Human)	BDBM18135 (adenylylmethylenediphosphonate | CHEMBL133463 | ({...) Show SMILES Show InChI	GoogleScholar	UniChem		387	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
P2X purinoceptor 2 (Human)	BDBM18135 (adenylylmethylenediphosphonate | CHEMBL133463 | ({...) Show SMILES Show InChI	GoogleScholar	UniChem		506	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
Glycine--tRNA ligase (Silk moth)	BDBM18135 (adenylylmethylenediphosphonate | CHEMBL133463 | ({...) Show SMILES Show InChI	GoogleScholar	UniChem		800	-8.31	1.00E+4	n/a	n/a	n/a	n/a	7.5	25
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					More data for this Ligand-Target Pair
Glycerol kinase (Human)	BDBM18135 (adenylylmethylenediphosphonate | CHEMBL133463 | ({...) Show SMILES Show InChI	GoogleScholar	UniChem		3.00E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18135

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
tRNA synthetase (GlyRS) (Silk moth)	BDBM18135 (adenylylmethylenediphosphonate | CHEMBL133463 | ({...)	GoogleScholar			-8.67	7.57	-16.9	6.34	7.20	24.9
TBA					Details of this binding reaction