Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'jakob' and Initial = 'cl'   

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))	BDBM50201834 (5-benzo[b]thiophen-2-yl-6-(6-morpholin-4-ylpyridin...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2s1 Show InChI InChI=1S/C23H19N5OS/c24-23-22(20-13-17-3-1-2-4-19(17)30-20)18(26-15-27-23)7-5-16-6-8-21(25-14-16)28-9-11-29-12-10-28/h1-4,6,8,13-15H,9-12H2,(H2,24,26,27)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
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 Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM50201814 (5-benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-yle...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2o1 Show InChI InChI=1S/C23H19N5O2/c24-23-22(20-13-17-3-1-2-4-19(17)30-20)18(26-15-27-23)7-5-16-6-8-21(25-14-16)28-9-11-29-12-10-28/h1-4,6,8,13-15H,9-12H2,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201825 (5-(4-chlorophenyl)-6-{6-[(2-methoxyethyl)methylami...) Show SMILES COCCN(C)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClN5O/c1-27(11-12-28-2)19-10-4-15(13-24-19)3-9-18-20(21(23)26-14-25-18)16-5-7-17(22)8-6-16/h4-8,10,13-14H,11-12H2,1-2H3,(H2,23,25,26)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201865 (1-(4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-yle...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O/c1-16(31)29-10-12-30(13-11-29)21-9-3-17(14-26-21)2-8-20-22(23(25)28-15-27-20)18-4-6-19(24)7-5-18/h3-7,9,14-15H,10-13H2,1H3,(H2,25,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Rattus norvegicus (rat))	BDBM14494 (6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1 Show InChI InChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201823 (5-(4-chlorophenyl)-6-(6-morpholin-4-ylpyridin-3-yl...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN5O/c22-17-5-3-16(4-6-17)20-18(25-14-26-21(20)23)7-1-15-2-8-19(24-13-15)27-9-11-28-12-10-27/h2-6,8,13-14H,9-12H2,(H2,23,25,26)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201821 (5-(4-bromophenyl)-6-(4-dimethylaminophenylethynyl)...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C20H17BrN4/c1-25(2)17-10-3-14(4-11-17)5-12-18-19(20(22)24-13-23-18)15-6-8-16(21)9-7-15/h3-4,6-11,13H,1-2H3,(H2,22,23,24)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201849 (5-(4-chlorophenyl)-6-(4-dimethylaminophenylethynyl...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN4/c1-25(2)17-10-3-14(4-11-17)5-12-18-19(20(22)24-13-23-18)15-6-8-16(21)9-7-15/h3-4,6-11,13H,1-2H3,(H2,22,23,24)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201815 (5-(4-dimethylaminophenyl)-6-(4-dimethylaminophenyl...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H23N5/c1-26(2)18-10-5-16(6-11-18)7-14-20-21(22(23)25-15-24-20)17-8-12-19(13-9-17)27(3)4/h5-6,8-13,15H,1-4H3,(H2,23,24,25)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201843 (4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-ylethy...) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN7O2S/c1-29(2)34(32,33)31-13-11-30(12-14-31)21-10-4-17(15-26-21)3-9-20-22(23(25)28-16-27-20)18-5-7-19(24)8-6-18/h4-8,10,15-16H,11-14H2,1-2H3,(H2,25,27,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201830 (CHEMBL387630 | {4-[5-(4-chlorophenyl)-6-morpholin-...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN4O/c1-28(2)21-10-3-18(4-11-21)5-12-22-23(19-6-8-20(25)9-7-19)24(27-17-26-22)29-13-15-30-16-14-29/h3-4,6-11,17H,13-16H2,1-2H3	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201854 (5-(4-chlorophenyl)-6-(6-dimethylaminopyridin-3-yle...) Show SMILES CN(C)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClN5/c1-25(2)17-10-4-13(11-22-17)3-9-16-18(19(21)24-12-23-16)14-5-7-15(20)8-6-14/h4-8,10-12H,1-2H3,(H2,21,23,24)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201831 (CHEMBL226504 | {4-[5-(4-chlorophenyl)-6-piperazin-...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N2CCNCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClN5/c1-29(2)21-10-3-18(4-11-21)5-12-22-23(19-6-8-20(25)9-7-19)24(28-17-27-22)30-15-13-26-14-16-30/h3-4,6-11,17,26H,13-16H2,1-2H3	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201863 (5-(4-chlorophenyl)-6-(2-morpholin-4-ylpyrimidin-5-...) Show SMILES Nc1ncnc(C#Cc2cnc(nc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O/c21-16-4-2-15(3-5-16)18-17(25-13-26-19(18)22)6-1-14-11-23-20(24-12-14)27-7-9-28-10-8-27/h2-5,11-13H,7-10H2,(H2,22,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201824 (5-(4-chlorophenyl)-6-(5-morpholin-4-ylpyridin-3-yl...) Show SMILES Nc1ncnc(C#Cc2cncc(c2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN5O/c22-17-4-2-16(3-5-17)20-19(25-14-26-21(20)23)6-1-15-11-18(13-24-12-15)27-7-9-28-10-8-27/h2-5,11-14H,7-10H2,(H2,23,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM14491 (5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)16-7-3-14(4-8-16)5-9-17-20(21(22)24-12-23-17)15-6-10-18-19(11-15)27-13-26-18/h3-4,6-8,10-12H,13H2,1-2H3,(H2,22,23,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14491 (5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)16-7-3-14(4-8-16)5-9-17-20(21(22)24-12-23-17)15-6-10-18-19(11-15)27-13-26-18/h3-4,6-8,10-12H,13H2,1-2H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201853 (5-(4-chlorophenyl)-6-(3,4,5,6-tetrahydro-2H-[1,20]...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCCCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN5/c23-18-8-6-17(7-9-18)21-19(26-15-27-22(21)24)10-4-16-5-11-20(25-14-16)28-12-2-1-3-13-28/h5-9,11,14-15H,1-3,12-13H2,(H2,24,26,27)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201846 (5-benzo[1,3]dioxol-5-yl-6-(6-morpholin-4-ylpyridin...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H19N5O3/c23-22-21(16-3-5-18-19(11-16)30-14-29-18)17(25-13-26-22)4-1-15-2-6-20(24-12-15)27-7-9-28-10-8-27/h2-3,5-6,11-13H,7-10,14H2,(H2,23,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201866 (5-(3-chlorophenyl)-6-(4-dimethylaminophenylethynyl...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C20H17ClN4/c1-25(2)17-9-6-14(7-10-17)8-11-18-19(20(22)24-13-23-18)15-4-3-5-16(21)12-15/h3-7,9-10,12-13H,1-2H3,(H2,22,23,24)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201850 (6-(4-aminophenylethynyl)-5-(4-chlorophenyl)pyrimid...) Show SMILES Nc1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN4/c19-14-6-4-13(5-7-14)17-16(22-11-23-18(17)21)10-3-12-1-8-15(20)9-2-12/h1-2,4-9,11H,20H2,(H2,21,22,23)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201860 (6-(6-morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cccs1 Show InChI InChI=1S/C19H17N5OS/c20-19-18(16-2-1-11-26-16)15(22-13-23-19)5-3-14-4-6-17(21-12-14)24-7-9-25-10-8-24/h1-2,4,6,11-13H,7-10H2,(H2,20,22,23)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201840 (4-[5-(4-chlorophenyl)-6-(4-dimethylaminophenylethy...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N2CCN(CC2)S(=O)(=O)N(C)C)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN6O2S/c1-30(2)23-12-5-20(6-13-23)7-14-24-25(21-8-10-22(27)11-9-21)26(29-19-28-24)32-15-17-33(18-16-32)36(34,35)31(3)4/h5-6,8-13,19H,15-18H2,1-4H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201847 (6-(4-dimethylaminophenylethynyl)-5-p-tolylpyrimidi...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(C)cc1 Show InChI InChI=1S/C21H20N4/c1-15-4-9-17(10-5-15)20-19(23-14-24-21(20)22)13-8-16-6-11-18(12-7-16)25(2)3/h4-7,9-12,14H,1-3H3,(H2,22,23,24)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201858 (6-(6-aminopyridin-3-ylethynyl)-5-(4-chlorophenyl)p...) Show SMILES Nc1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClN5/c18-13-5-3-12(4-6-13)16-14(22-10-23-17(16)20)7-1-11-2-8-15(19)21-9-11/h2-6,8-10H,(H2,19,21)(H2,20,22,23)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201841 (CHEMBL427272 | [5-(4-chlorophenyl)-6-(4-dimethylam...) Show SMILES CNc1ncnc(C#Cc2ccc(cc2)N(C)C)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClN4/c1-23-21-20(16-7-9-17(22)10-8-16)19(24-14-25-21)13-6-15-4-11-18(12-5-15)26(2)3/h4-5,7-12,14H,1-3H3,(H,23,24,25)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201817 (6-(4-dimethylaminophenylethynyl)-5-(3-nitrophenyl)...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H17N5O2/c1-24(2)16-9-6-14(7-10-16)8-11-18-19(20(21)23-13-22-18)15-4-3-5-17(12-15)25(26)27/h3-7,9-10,12-13H,1-2H3,(H2,21,22,23)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201852 (5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenylethyny...) Show SMILES Nc1ncnc(C#Cc2ccc(cc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN4O/c23-18-6-4-17(5-7-18)21-20(25-15-26-22(21)24)10-3-16-1-8-19(9-2-16)27-11-13-28-14-12-27/h1-2,4-9,15H,11-14H2,(H2,24,25,26)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201851 (6-(4-dimethylaminophenylethynyl)-5-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(cc1)N(C)C Show InChI InChI=1S/C21H20N4O/c1-25(2)17-9-4-15(5-10-17)6-13-19-20(21(22)24-14-23-19)16-7-11-18(26-3)12-8-16/h4-5,7-12,14H,1-3H3,(H2,22,23,24)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201862 (1-[5-(6-amino-5-benzo[1,3]dioxol-5-ylpyrimidin-4-y...) Show SMILES CC(C)NC(=O)Nc1cc(cnc1N1CCOCC1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27N7O4/c1-16(2)31-26(34)32-20-11-17(13-28-25(20)33-7-9-35-10-8-33)3-5-19-23(24(27)30-14-29-19)18-4-6-21-22(12-18)37-15-36-21/h4,6,11-14,16H,7-10,15H2,1-2H3,(H2,27,29,30)(H2,31,32,34)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM14489 (6-{2-[4-(dimethylamino)phenyl]ethynyl}-5-phenylpyr...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-24(2)17-11-8-15(9-12-17)10-13-18-19(20(21)23-14-22-18)16-6-4-3-5-7-16/h3-9,11-12,14H,1-2H3,(H2,21,22,23)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14489 (6-{2-[4-(dimethylamino)phenyl]ethynyl}-5-phenylpyr...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-24(2)17-11-8-15(9-12-17)10-13-18-19(20(21)23-14-22-18)16-6-4-3-5-7-16/h3-9,11-12,14H,1-2H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201818 (5-(3,4-dimethoxyphenyl)-6-(4-dimethylaminophenylet...) Show SMILES COc1ccc(cc1OC)-c1c(N)ncnc1C#Cc1ccc(cc1)N(C)C Show InChI InChI=1S/C22H22N4O2/c1-26(2)17-9-5-15(6-10-17)7-11-18-21(22(23)25-14-24-18)16-8-12-19(27-3)20(13-16)28-4/h5-6,8-10,12-14H,1-4H3,(H2,23,24,25)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201829 (6-(4-dimethylaminophenylethynyl)-5-(4-isopropylphe...) Show SMILES CC(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(cc1)N(C)C Show InChI InChI=1S/C23H24N4/c1-16(2)18-8-10-19(11-9-18)22-21(25-15-26-23(22)24)14-7-17-5-12-20(13-6-17)27(3)4/h5-6,8-13,15-16H,1-4H3,(H2,24,25,26)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201820 (5-(4-chlorophenyl)-6-p-tolylethynylpyrimidin-4-yla...) Show SMILES Cc1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN3/c1-13-2-4-14(5-3-13)6-11-17-18(19(21)23-12-22-17)15-7-9-16(20)10-8-15/h2-5,7-10,12H,1H3,(H2,21,22,23)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201848 (5-benzo[1,3]dioxol-5-yl-6-(5-dimethylamino-6-morph...) Show SMILES CN(C)c1cc(cnc1N1CCOCC1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H24N6O3/c1-29(2)19-11-16(13-26-24(19)30-7-9-31-10-8-30)3-5-18-22(23(25)28-14-27-18)17-4-6-20-21(12-17)33-15-32-20/h4,6,11-14H,7-10,15H2,1-2H3,(H2,25,27,28)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201826 (6-(6-morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1ccsc1 Show InChI InChI=1S/C19H17N5OS/c20-19-18(15-5-10-26-12-15)16(22-13-23-19)3-1-14-2-4-17(21-11-14)24-6-8-25-9-7-24/h2,4-5,10-13H,6-9H2,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201828 (CHEMBL226503 | [5-(4-chlorophenyl)-6-(4-dimethylam...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(NCCc2c[nH]c3ccccc23)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H26ClN5/c1-36(2)25-14-7-21(8-15-25)9-16-28-29(22-10-12-24(31)13-11-22)30(35-20-34-28)32-18-17-23-19-33-27-6-4-3-5-26(23)27/h3-8,10-15,19-20,33H,17-18H2,1-2H3,(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201865 (1-(4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-yle...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O/c1-16(31)29-10-12-30(13-11-29)21-9-3-17(14-26-21)2-8-20-22(23(25)28-15-27-20)18-4-6-19(24)7-5-18/h3-7,9,14-15H,10-13H2,1H3,(H2,25,27,28)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14493 (5-benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethy...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-22-19(14-17-4-2-1-3-5-17)20(25-16-26-22)8-6-18-7-9-21(24-15-18)27-10-12-28-13-11-27/h1-5,7,9,15-16H,10-14H2,(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201855 (5-(4-chlorophenyl)-6-thiophen-2-ylethynylpyrimidin...) Show SMILES Nc1ncnc(C#Cc2cccs2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H10ClN3S/c17-12-5-3-11(4-6-12)15-14(19-10-20-16(15)18)8-7-13-2-1-9-21-13/h1-6,9-10H,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201822 (5-(4-chlorophenyl)-6-(4-nitrophenylethynyl)pyrimid...) Show SMILES Nc1ncnc(C#Cc2ccc(cc2)[N+]([O-])=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H11ClN4O2/c19-14-6-4-13(5-7-14)17-16(21-11-22-18(17)20)10-3-12-1-8-15(9-2-12)23(24)25/h1-2,4-9,11H,(H2,20,21,22)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201827 (5-(4-chlorophenyl)-6-(6-morpholin-4-ylpyridazin-3-...) Show SMILES Nc1ncnc(C#Cc2ccc(nn2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O/c21-15-3-1-14(2-4-15)19-17(23-13-24-20(19)22)7-5-16-6-8-18(26-25-16)27-9-11-28-12-10-27/h1-4,6,8,13H,9-12H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201819 (5-(4-chlorophenyl)-6-(4-isopropylphenylethynyl)-py...) Show SMILES CC(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN3/c1-14(2)16-6-3-15(4-7-16)5-12-19-20(21(23)25-13-24-19)17-8-10-18(22)11-9-17/h3-4,6-11,13-14H,1-2H3,(H2,23,24,25)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201823 (5-(4-chlorophenyl)-6-(6-morpholin-4-ylpyridin-3-yl...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN5O/c22-17-5-3-16(4-6-17)20-18(25-14-26-21(20)23)7-1-15-2-8-19(24-13-15)27-9-11-28-12-10-27/h2-6,8,13-14H,9-12H2,(H2,23,25,26)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201856 (5-(4-chlorophenyl)-6-phenylethynylpyrimidin-4-ylam...) Show SMILES Nc1ncnc(C#Cc2ccccc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H12ClN3/c19-15-9-7-14(8-10-15)17-16(21-12-22-18(17)20)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,(H2,20,21,22)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201839 (4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-ylethy...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN6O2/c1-26(2,3)35-25(34)33-14-12-32(13-15-33)22-11-5-18(16-29-22)4-10-21-23(24(28)31-17-30-21)19-6-8-20(27)9-7-19/h5-9,11,16-17H,12-15H2,1-3H3,(H2,28,30,31)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)

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