Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.7 BDBM50201835

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))	BDBM50201835 (5-(4-chlorophenyl)-6-pyrimidin-5-ylethynylpyrimidi...) Show SMILES Nc1ncnc(C#Cc2cncnc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H10ClN5/c17-13-4-2-12(3-5-13)15-14(21-10-22-16(15)18)6-1-11-7-19-9-20-8-11/h2-5,7-10H,(H2,18,21,22)	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	216	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201835 (5-(4-chlorophenyl)-6-pyrimidin-5-ylethynylpyrimidi...) Show SMILES Nc1ncnc(C#Cc2cncnc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H10ClN5/c17-13-4-2-12(3-5-13)15-14(21-10-22-16(15)18)6-1-11-7-19-9-20-8-11/h2-5,7-10H,(H2,18,21,22)	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 in intact cells assessed as adenosine phosphorylation				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair