BDBM50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine

SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O

InChI Key: InChIKey=HUJXGQILHAUCCV-UHFFFAOYSA-N

Data: 110 KI  4 IC50  6 EC50

PDB links: 3 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 120 hits for monomerid = 50118812   

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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0229	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	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 (Mouse)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0870	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.215	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.370	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.840	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		0.960	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		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 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		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 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		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 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Rat)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) 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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) 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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	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)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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 A3 (Human)	BDBM50118812 (CHEMBL119709 | (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-io...) Show SMILES Show InChI	GoogleScholar	UniChem		2	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