BDBM50199967 2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ribofuranosyl)adenine::CHEMBL386698

SMILES: COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

InChI Key: InChIKey=XAQXKAIELUTQQX-LSCFUAHRSA-N

Data: 3 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 3 hits for monomerid = 50199967   

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))	BDBM50199967 (2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...) Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199967 (2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...) Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199967 (2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...) Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
					More data for this Ligand-Target Pair