null

SMILES: Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=KAQHTSLMUQMHLB-IWCJZZDYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50141451   

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))	BDBM50141451 (CHEMBL36786 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	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))	BDBM50141451 (CHEMBL36786 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+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))	BDBM50141451 (CHEMBL36786 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/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	2.00E+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