BDBM50417780 CHEMBL1644526

SMILES: CCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=NNJHPWVMDUMCTA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50417780   

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 A3 (Homo sapiens (Human))	BDBM50417780 (CHEMBL1644526) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H18N8O3/c1-2-28-9-15-17(26-28)24-20(29-19(15)23-18(27-29)16-4-3-7-32-16)25-21(30)22-14-6-5-12-10-31-11-13(12)8-14/h3-9H,2,10-11H2,1H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair