BDBM50417781 CHEMBL1644525

SMILES: Cn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=AYRKSILWKSWPBY-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 = 50417781   

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))	BDBM50417781 (CHEMBL1644525) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H16N8O3/c1-27-8-14-16(25-27)23-19(28-18(14)22-17(26-28)15-3-2-6-31-15)24-20(29)21-13-5-4-11-9-30-10-12(11)7-13/h2-8H,9-10H2,1H3,(H2,21,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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