BDBM50282640 CHEMBL4168653

SMILES: O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1

InChI Key: InChIKey=XDMMUAUNKJNHNN-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50282640   

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 A2b (Homo sapiens (Human))	BDBM50282640 (CHEMBL4168653) Show SMILES O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1 Show InChI InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair
Adenosine receptor (Homo sapiens (Human))	BDBM50282640 (CHEMBL4168653) Show SMILES O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1 Show InChI InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair