BDBM50355173 CHEMBL1834706

SMILES: O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=JLQOMAXINJOYLS-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 = 50355173   

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))	BDBM50355173 (CHEMBL1834706) Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C32H25N7O2/c40-28(20-23-10-5-2-6-11-23)33-32-35-30-26(21-38(36-30)18-17-22-8-3-1-4-9-22)31-34-29(37-39(31)32)25-15-13-24(14-16-25)27-12-7-19-41-27/h1-16,19,21H,17-18,20H2,(H,33,35,36,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs				Bioorg Med Chem 19: 6120-34 (2011) Article DOI: 10.1016/j.bmc.2011.08.026 BindingDB Entry DOI: 10.7270/Q2GX4BZG
					More data for this Ligand-Target Pair