Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090851'   

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))	BDBM50090851 ((2R,3R,4S,5R)-2-(4-Amino-5-methyl-pyrrolo[2,3-d]py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N4O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/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	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase activity				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))	BDBM50090851 ((2R,3R,4S,5R)-2-(4-Amino-5-methyl-pyrrolo[2,3-d]py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N4O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/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	1.65E+4	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))	BDBM50090851 ((2R,3R,4S,5R)-2-(4-Amino-5-methyl-pyrrolo[2,3-d]py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N4O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/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	1.66E+4	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))	BDBM50090851 ((2R,3R,4S,5R)-2-(4-Amino-5-methyl-pyrrolo[2,3-d]py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N4O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/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	6.06E+7	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