Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM50095368

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))	BDBM50095368 (7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-p...) Show SMILES Nc1ncnc2nc(cc(-c3cccnc3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C21H19N7O/c22-20-19-16(14-2-1-5-23-11-14)10-17(27-21(19)26-13-25-20)15-3-4-18(24-12-15)28-6-8-29-9-7-28/h1-5,10-13H,6-9H2,(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095368 (7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-p...) Show SMILES Nc1ncnc2nc(cc(-c3cccnc3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C21H19N7O/c22-20-19-16(14-2-1-5-23-11-14)10-17(27-21(19)26-13-25-20)15-3-4-18(24-12-15)28-6-8-29-9-7-28/h1-5,10-13H,6-9H2,(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	315	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair