BDBM2 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid::ATP::Brimonidine ATP::CHEMBL14249

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZKHQWZAMYRWXGA-UHFFFAOYSA-N

Data: 6 KI  2 IC50  5 EC50  5 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 12 hits for monomerid = 2   

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
Heat shock 70 kDa protein 1A (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	23
TBA									Citation and Details
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P2Y purinoceptor 2 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
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P2Y purinoceptor 1 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
TBA									Citation and Details
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P2Y purinoceptor 1 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
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P2Y purinoceptor 11 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
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P2Y purinoceptor 1 (Rat)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a
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Alpha-2C adrenergic receptor (Rat)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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P2X purinoceptor 3 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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P2X purinoceptor 2 (Human)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cholecystokinin (Rat)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cholecystokinin (Rat)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Glycine--tRNA ligase (Silk moth)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30E+4	-6.66	1.00E+5	n/a	n/a	n/a	n/a	7.5	25
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Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 2

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
Thymidine Kinase (TK.dT) (HHV-1)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...)	GoogleScholar			-9.03	4.77	-13.8	6.59	7.5	25
TBA					Details of this binding reaction
Thymidine Kinase (TK.dT) (HHV-1)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...)	GoogleScholar			-9.13	3.92	-13.0	n/a	7.5	20
TBA					Details of this binding reaction
Thymidine Kinase (TK.dT) (HHV-1)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...)	GoogleScholar			-8.93	3.17	-12.1	n/a	7.5	15
TBA					Details of this binding reaction
Thymidine Kinase (TK.dT) (HHV-1)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...)	GoogleScholar			-8.93	2.84	-11.7	n/a	7.5	10
TBA					Details of this binding reaction
tRNA synthetase (GlyRS) (Silk moth)	BDBM2 (CHEMBL14249 | ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-pu...)	GoogleScholar			-7.31	8.81	-17.2	5.40	7.20	24.9
TBA					Details of this binding reaction