Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50413750'   

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 (Toxoplasma gondii)	BDBM50413750 (CHEMBL60779) Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1 |r| Show InChI InChI=1S/C20H24N4O4S/c1-10-4-11(2)13(12(3)5-10)7-29-19-15-18(21-8-22-19)24(9-23-15)20-17(27)16(26)14(6-25)28-20/h4-5,8-9,14,16-17,20,25-27H,6-7H2,1-3H3/t14-,16-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Toxoplasma gondii adenosine kinase				Citation and Details Article DOI: 10.1007/s00044-011-9554-z BindingDB Entry DOI: 10.7270/Q29G5QQ7
					More data for this Ligand-Target Pair
Adenosine kinase (Toxoplasma gondii)	BDBM50413750 (CHEMBL60779) Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1 |r| Show InChI InChI=1S/C20H24N4O4S/c1-10-4-11(2)13(12(3)5-10)7-29-19-15-18(21-8-22-19)24(9-23-15)20-17(27)16(26)14(6-25)28-20/h4-5,8-9,14,16-17,20,25-27H,6-7H2,1-3H3/t14-,16-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Toxoplasma gondii adenosine kinase				Citation and Details Article DOI: 10.1007/s00044-011-9554-z BindingDB Entry DOI: 10.7270/Q29G5QQ7
					More data for this Ligand-Target Pair
Adenosine kinase (Toxoplasma gondii)	BDBM50413750 (CHEMBL60779) Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1 |r| Show InChI InChI=1S/C20H24N4O4S/c1-10-4-11(2)13(12(3)5-10)7-29-19-15-18(21-8-22-19)24(9-23-15)20-17(27)16(26)14(6-25)28-20/h4-5,8-9,14,16-17,20,25-27H,6-7H2,1-3H3/t14-,16-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Toxoplasma gondii adenosine kinase				Citation and Details Article DOI: 10.1007/s00044-011-9554-z BindingDB Entry DOI: 10.7270/Q29G5QQ7
					More data for this Ligand-Target Pair