BDBM50004461 (2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::1, HENECA::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::HE-NECA::HENECA

SMILES: CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1

InChI Key: InChIKey=FDEACFAXFCKCHZ-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50004461   

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 A2a (Rat)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20	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)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) 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 A2a (Human)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) Show SMILES Show InChI	GoogleScholar	UniChem		6.40	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)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) Show SMILES Show InChI	GoogleScholar	UniChem		130	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 (Human)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) Show SMILES Show InChI	GoogleScholar	UniChem		740	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 (Human)	BDBM50004461 ((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...) 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