Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.4 BDBM50135901

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine kinase (Rattus norvegicus (rat))	BDBM50135901 (5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino...) Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1 Show InChI InChI=1S/C26H27BrN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h6,9-16H,3-5,7-8H2,1-2H3,(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition adenosine kinase activity in rat brain in vitro				J Med Chem 46: 5249-57 (2003) Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50135901 (5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino...) Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1 Show InChI InChI=1S/C26H27BrN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h6,9-16H,3-5,7-8H2,1-2H3,(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells				J Med Chem 46: 5249-57 (2003) Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R
					More data for this Ligand-Target Pair