Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50135888'   

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))	BDBM50135888 (5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...) Show SMILES COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H28BrN5O3S/c1-35(11-12-36-2)20-8-5-17(6-9-20)27-24(18-7-10-21(37-3)22(13-18)38-4)25(23-14-19(30)15-39-23)26-28(31)32-16-33-29(26)34-27/h5-10,13-16H,11-12H2,1-4H3,(H2,31,32,33,34)	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	0.980	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))	BDBM50135888 (5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...) Show SMILES COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H28BrN5O3S/c1-35(11-12-36-2)20-8-5-17(6-9-20)27-24(18-7-10-21(37-3)22(13-18)38-4)25(23-14-19(30)15-39-23)26-28(31)32-16-33-29(26)34-27/h5-10,13-16H,11-12H2,1-4H3,(H2,31,32,33,34)	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	367	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