BDBM50377512 CHEMBL260209

SMILES: Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1

InChI Key: InChIKey=IYPMOYPLNFSVQJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377512   

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))	BDBM50377512 (CHEMBL260209) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-5-2-1-4-10(11)8-22-9-19-14-13(12-6-3-7-23-12)20-16(18)21-15(14)22/h1-7,9H,8H2,(H2,18,20,21)	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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377512 (CHEMBL260209) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-5-2-1-4-10(11)8-22-9-19-14-13(12-6-3-7-23-12)20-16(18)21-15(14)22/h1-7,9H,8H2,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair