BDBM50317874 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetramethylisoindolin-5-ylamino)-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diol::CHEMBL1098183

SMILES: CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12

InChI Key: InChIKey=HRXAFROOQYQSCE-UNZAHYKDSA-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 = 50317874   

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))	BDBM50317874 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetr...) Show SMILES CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:13| Show InChI InChI=1S/C22H30N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-18,20,26-27,29-31H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317874 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetr...) Show SMILES CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:13| Show InChI InChI=1S/C22H30N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-18,20,26-27,29-31H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317874 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetr...) Show SMILES CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:13| Show InChI InChI=1S/C22H30N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-18,20,26-27,29-31H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
					More data for this Ligand-Target Pair