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SMILES: CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1

InChI Key: InChIKey=ARBBOHNBMWZRMR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50196016   

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 A1 (BOVINE)	BDBM50196016 (3-(2-chlorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25ClN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196016 (3-(2-chlorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25ClN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair