Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.8 BDBM50095371

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))	BDBM50095371 (5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Cl)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H18ClN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	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
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095371 (5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Cl)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H18ClN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	78	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