Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50010958   

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))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.60	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				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM50094703 (5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	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 (Rattus norvegicus (rat))	BDBM50100580 (5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...) Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80	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 (Rattus norvegicus (rat))	BDBM50090895 ((2R,3R,4S,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H21FN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80	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 (Rattus norvegicus (rat))	BDBM50095384 (5-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	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 (Rattus norvegicus (rat))	BDBM50095358 (7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	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 (Rattus norvegicus (rat))	BDBM50095372 (5-Cyclohexyl-7-(4-dimethylamino-phenyl)-pyrido[2,3...) Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CCCCC2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H25N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h8-14H,3-7H2,1-2H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30	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 (Rattus norvegicus (rat))	BDBM50090850 ((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	15	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))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	22.8	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				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM50100584 (7-(4-Dimethylamino-phenyl)-6-phenyl-pteridin-4-yla...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2nc1-c1ccccc1 Show InChI InChI=1S/C20H18N6/c1-26(2)15-10-8-14(9-11-15)17-16(13-6-4-3-5-7-13)24-18-19(21)22-12-23-20(18)25-17/h3-12H,1-2H3,(H2,21,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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))	BDBM50100580 (5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...) Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)	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	32	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))	BDBM50094703 (5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	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 (Rattus norvegicus (rat))	BDBM50100588 (6-(4-tert-Butyl-phenyl)-7-(4-dimethylamino-phenyl)...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62.5	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 (Rattus norvegicus (rat))	BDBM50100586 (3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	66.7	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 (Rattus norvegicus (rat))	BDBM50100591 (7-(4-Dimethylamino-phenyl)-6-p-tolyl-pyrido[2,3-d]...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(C)cc1 Show InChI InChI=1S/C22H21N5/c1-14-4-6-15(7-5-14)18-12-19-21(23)24-13-25-22(19)26-20(18)16-8-10-17(11-9-16)27(2)3/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 Patents Similars	PubMed	n/a	n/a	73.3	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 (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))	BDBM50090895 ((2R,3R,4S,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H21FN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	134	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))	BDBM50095384 (5-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)	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	167	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))	BDBM50100584 (7-(4-Dimethylamino-phenyl)-6-phenyl-pteridin-4-yla...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2nc1-c1ccccc1 Show InChI InChI=1S/C20H18N6/c1-26(2)15-10-8-14(9-11-15)17-16(13-6-4-3-5-7-13)24-18-19(21)22-12-23-20(18)25-17/h3-12H,1-2H3,(H2,21,22,23,25)	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	333	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 (Rattus norvegicus (rat))	BDBM50100590 (7-(4-Morpholin-4-yl-phenyl)-pteridin-4-ylamine | C...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C16H16N6O/c17-15-14-16(20-10-19-15)21-13(9-18-14)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H2,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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 (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))	BDBM50095358 (7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...) Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)	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	467	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))	BDBM50095372 (5-Cyclohexyl-7-(4-dimethylamino-phenyl)-pyrido[2,3...) Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CCCCC2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H25N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h8-14H,3-7H2,1-2H3,(H2,22,23,24,25)	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	467	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))	BDBM50100591 (7-(4-Dimethylamino-phenyl)-6-p-tolyl-pyrido[2,3-d]...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(C)cc1 Show InChI InChI=1S/C22H21N5/c1-14-4-6-15(7-5-14)18-12-19-21(23)24-13-25-22(19)26-20(18)16-8-10-17(11-9-16)27(2)3/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 Patents Similars	PubMed	n/a	n/a	500	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))	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
Adenosine kinase (Homo sapiens (Human))	BDBM50100586 (3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	700	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 (Rattus norvegicus (rat))	BDBM50095382 (7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...) Show SMILES CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1 Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	773	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))	BDBM50100588 (6-(4-tert-Butyl-phenyl)-7-(4-dimethylamino-phenyl)...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29)	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
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))	BDBM50100590 (7-(4-Morpholin-4-yl-phenyl)-pteridin-4-ylamine | C...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C16H16N6O/c17-15-14-16(20-10-19-15)21-13(9-18-14)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H2,17,19,20,21)	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
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 (Rattus norvegicus (rat))	BDBM50100589 (7-(4-Amino-phenyl)-pteridin-4-ylamine | CHEMBL6704...) Show SMILES Nc1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C12H10N6/c13-8-3-1-7(2-4-8)9-5-15-10-11(14)16-6-17-12(10)18-9/h1-6H,13H2,(H2,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+3	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 (Rattus norvegicus (rat))	BDBM50100581 (7-(4-Methoxy-phenyl)-pteridin-4-ylamine | CHEMBL67...) Show SMILES COc1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C13H11N5O/c1-19-9-4-2-8(3-5-9)10-6-15-11-12(14)16-7-17-13(11)18-10/h2-7H,1H3,(H2,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	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 (Rattus norvegicus (rat))	BDBM50100587 ((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...) Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	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	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 (Rattus norvegicus (rat))	BDBM50100585 (7-(4-Nitro-phenyl)-pteridin-4-ylamine | CHEMBL3080...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H8N6O2/c13-11-10-12(16-6-15-11)17-9(5-14-10)7-1-3-8(4-2-7)18(19)20/h1-6H,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.75E+3	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 (Rattus norvegicus (rat))	BDBM50100582 (7-Phenyl-pteridin-4-ylamine | CHEMBL419063) Show SMILES Nc1ncnc2nc(cnc12)-c1ccccc1 Show InChI InChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.50E+3	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))	BDBM50090850 ((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.33E+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))	BDBM50100589 (7-(4-Amino-phenyl)-pteridin-4-ylamine | CHEMBL6704...) Show SMILES Nc1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C12H10N6/c13-8-3-1-7(2-4-8)9-5-15-10-11(14)16-6-17-12(10)18-9/h1-6H,13H2,(H2,14,16,17,18)	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+4	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))	BDBM50100581 (7-(4-Methoxy-phenyl)-pteridin-4-ylamine | CHEMBL67...) Show SMILES COc1ccc(cc1)-c1cnc2c(N)ncnc2n1 Show InChI InChI=1S/C13H11N5O/c1-19-9-4-2-8(3-5-9)10-6-15-11-12(14)16-7-17-13(11)18-10/h2-7H,1H3,(H2,14,16,17,18)	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+4	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))	BDBM50095382 (7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...) Show SMILES CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1 Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19)	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+4	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))	BDBM50100585 (7-(4-Nitro-phenyl)-pteridin-4-ylamine | CHEMBL3080...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H8N6O2/c13-11-10-12(16-6-15-11)17-9(5-14-10)7-1-3-8(4-2-7)18(19)20/h1-6H,(H2,13,15,16,17)	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+4	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))	BDBM50100582 (7-Phenyl-pteridin-4-ylamine | CHEMBL419063) Show SMILES Nc1ncnc2nc(cnc12)-c1ccccc1 Show InChI InChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	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))	BDBM50100587 ((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...) Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	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