null

SMILES: CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1

InChI Key: InChIKey=JHULGSFPNSGSIM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50048029   

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 A2a (Homo sapiens (Human))	BDBM50048029 (CHEMBL3314911) Show SMILES CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048029 (CHEMBL3314911) Show SMILES CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50048029 (CHEMBL3314911) Show SMILES CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50048029 (CHEMBL3314911) Show SMILES CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair