BDBM50185937 3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydroxy-tetrahydro-furan-2-carboxylic acid methyl amide::CHEMBL377071

SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=SVWWALKTOHAUAD-MHMFGPJMSA-N

Data: 5 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 5 hits for monomerid = 50185937   

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))	BDBM50185937 (3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185937 (3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185937 (3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185937 (3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185937 (3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair