Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090846'   

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))	BDBM50090846 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...) Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C14H18N4O5/c1-3-22-14(21)7-4-18(12-8(7)11(15)16-5-17-12)13-10(20)9(19)6(2)23-13/h4-6,9-10,13,19-20H,3H2,1-2H3,(H2,15,16,17)/t6-,9-,10-,13-/m1/s1	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2883-93 (2000) BindingDB Entry DOI: 10.7270/Q2XG9QCV
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50090846 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...) Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C14H18N4O5/c1-3-22-14(21)7-4-18(12-8(7)11(15)16-5-17-12)13-10(20)9(19)6(2)23-13/h4-6,9-10,13,19-20H,3H2,1-2H3,(H2,15,16,17)/t6-,9-,10-,13-/m1/s1	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition concentration against human adenosine kinase				Bioorg Med Chem Lett 12: 899-902 (2002) BindingDB Entry DOI: 10.7270/Q2NP23QT
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50090846 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...) Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C14H18N4O5/c1-3-22-14(21)7-4-18(12-8(7)11(15)16-5-17-12)13-10(20)9(19)6(2)23-13/h4-6,9-10,13,19-20H,3H2,1-2H3,(H2,15,16,17)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of the adenosine kinase (AK) activity.				Bioorg Med Chem Lett 14: 3077-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.040 BindingDB Entry DOI: 10.7270/Q2CZ38BM
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50090846 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...) Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C14H18N4O5/c1-3-22-14(21)7-4-18(12-8(7)11(15)16-5-17-12)13-10(20)9(19)6(2)23-13/h4-6,9-10,13,19-20H,3H2,1-2H3,(H2,15,16,17)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of adenosine kinase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-004-0048-0 BindingDB Entry DOI: 10.7270/Q2XG9V11
					More data for this Ligand-Target Pair