Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50095388'   

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))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	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	440	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Adenosine Kinase (enzyme)				Bioorg Med Chem Lett 15: 2803-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.098 BindingDB Entry DOI: 10.7270/Q2G160CH
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	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	440	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 (Rattus norvegicus (rat))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Adenosine kinase (AK)				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Adenosine Kinase (intact cells)				Bioorg Med Chem Lett 15: 2803-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.098 BindingDB Entry DOI: 10.7270/Q2G160CH
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50095388 (7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)	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	3.60E+3	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