Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50100583'   

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))	BDBM50100583 (7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...) Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91.7	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))	BDBM50100583 (7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...) Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)	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	92	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 (Homo sapiens (Human))	BDBM50100583 (7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...) Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)	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	567	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))	BDBM50100583 (7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...) Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)	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	567	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