Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.3 BDBM50167595

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 (Homo sapiens (Human))	BDBM50167595 (6-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1cccc(Br)c1 Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)19-17(14-4-3-5-15(22)10-14)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Adenosine Kinase (enzyme)				Bioorg Med Chem Lett 15: 2803-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.098 BindingDB Entry DOI: 10.7270/Q2G160CH
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50167595 (6-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1cccc(Br)c1 Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)19-17(14-4-3-5-15(22)10-14)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibitory concentration against Adenosine Kinase (intact cells)				Bioorg Med Chem Lett 15: 2803-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.098 BindingDB Entry DOI: 10.7270/Q2G160CH
					More data for this Ligand-Target Pair