BDBM35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680

SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O

InChI Key: InChIKey=PAOANWZGLPPROA-UHFFFAOYSA-N

Data: 77 KI  1 IC50  12 Kd  19 EC50

PDB links: 2 PDB IDs match this monomer.

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 109 hits for monomerid = 35804   

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 (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	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 (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	613	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Guinea pig)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.60	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	27	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.60	n/a	n/a	n/a	6.8	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	74	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.30	n/a	n/a	n/a	5.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	12	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	99	n/a	n/a	n/a	8.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	36	n/a	n/a	n/a	6.8	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	22	n/a	n/a	n/a	5.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	36	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	632	n/a	n/a	n/a	8.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.61E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.40	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.31E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.31E+6	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rat)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		12	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		15	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		15	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		15	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		18	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		18	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		21	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)	BDBM35804 (3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...) Show SMILES Show InChI	GoogleScholar	UniChem		21.9	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