BDBM50009552 2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHA::CHEMBL45891::N6-Cyclohexylado (CHA)

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12

InChI Key: InChIKey=SZBULDQSDUXAPJ-UHFFFAOYSA-N

Data: 24 KI  9 IC50  1 Kd  1 EC50

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 35 hits for monomerid = 50009552   

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/A2a/A2b/A3 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	640	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	790	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	510	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 (Chicken)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.850	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.850	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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 (Bovine)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	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)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.31	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/A2a/A2b/A3 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40	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/A2a/A2b/A3 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.60	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 (Chicken)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.66	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40	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 (Bovine)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.5	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
Adenosine receptor A1 (Chicken)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.5	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
Adenosine receptor A1 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		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 A2a (Guinea pig)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		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
Adenosine receptor A1/A2a/A2b/A3 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		7	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 (Chicken)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		17.1	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 (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		25	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		363	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		363	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 A2a (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		514	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 A2a (Human)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		750	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 A2a/A2b (Rat)	BDBM50009552 (CHA | CHEMBL45891 | N6-Cyclohexylado (CHA) | 2-[6-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.00E+4	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