null

SMILES: Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=VQXSQGWCUHTPSZ-BGIGGGFGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50141450   

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 A1 (Homo sapiens (Human))	BDBM50141450 (CHEMBL36320 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141450 (CHEMBL36320 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50141450 (CHEMBL36320 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A2A receptor in stably transfected CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair