Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.4 BDBM50135900

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))	BDBM50135900 (5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12 Show InChI InChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	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))	BDBM50135900 (5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12 Show InChI InChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27)	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	49	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