Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50132279'   

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))	BDBM50132279 (5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...) Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132279 (5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...) Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair