BDBM50215111 (1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-iodobenzyl)-adenin-9-yl)-2-oxa-5-azabicyclo[2:2:1]heptane::CHEMBL235543

SMILES: OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=JIAPKIWZYOTZQP-KBEZCGTCSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50215111   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair