Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'hocek' and Initial = 'm'   

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))	BDBM50350205 (CHEMBL1814774) Show SMILES Nc1ncnc2n(cc(-c3cn[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350207 (CHEMBL1814776) Show SMILES Nc1ncnc2n(cc(C#C)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H14N4O4/c1-2-6-3-17(12-8(6)11(14)15-5-16-12)13-10(20)9(19)7(4-18)21-13/h1,3,5,7,9-10,13,18-20H,4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM50350207 (CHEMBL1814776) Show SMILES Nc1ncnc2n(cc(C#C)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H14N4O4/c1-2-6-3-17(12-8(6)11(14)15-5-16-12)13-10(20)9(19)7(4-18)21-13/h1,3,5,7,9-10,13,18-20H,4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM50507527 (CHEMBL4470770) Show SMILES Cn1ccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc(-c4cc5ccccc5o4)c3c12 |r| Show InChI InChI=1S/C22H20N4O5/c1-25-7-6-12-18(25)16-17(14-8-11-4-2-3-5-13(11)30-14)23-10-24-21(16)26(12)22-20(29)19(28)15(9-27)31-22/h2-8,10,15,19-20,22,27-29H,9H2,1H3/t15-,19-,20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507522 (CHEMBL4438098) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ccoc2c2c(ncnc12)-c1cc2ccccc2o1 |r| Show InChI InChI=1S/C21H17N3O6/c25-8-14-17(26)18(27)21(30-14)24-11-5-6-28-19(11)15-16(22-9-23-20(15)24)13-7-10-3-1-2-4-12(10)29-13/h1-7,9,14,17-18,21,25-27H,8H2/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507517 (CHEMBL4554008) Show SMILES Cn1ccc2c1n([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ncnc(-c3cc4ccccc4o3)c21 |r| Show InChI InChI=1S/C22H20N4O5/c1-25-7-6-12-16-17(14-8-11-4-2-3-5-13(11)30-14)23-10-24-20(16)26(21(12)25)22-19(29)18(28)15(9-27)31-22/h2-8,10,15,18-19,22,27-29H,9H2,1H3/t15-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350195 (CHEMBL1814763) Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C18H20N4O5/c1-26-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)27-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350199 (CHEMBL1814767) Show SMILES Nc1ncnc2n(cc(-c3ccco3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O5/c16-13-10-7(8-2-1-3-23-8)4-19(14(10)18-6-17-13)15-12(22)11(21)9(5-20)24-15/h1-4,6,9,11-12,15,20-22H,5H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028657 (CHEMBL1814778) Show SMILES Nc1ncnc2n(cc(-c3nccs3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H15N5O4S/c15-11-8-6(13-16-1-2-24-13)3-19(12(8)18-5-17-11)14-10(22)9(21)7(4-20)23-14/h1-3,5,7,9-10,14,20-22H,4H2,(H2,15,17,18)/t7-,9-,10-,14-/m1/s1	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028660 (CHEMBL3342660) Show SMILES CC(C)c1cccc(c1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C20H24N4O4/c1-10(2)11-4-3-5-12(6-11)13-7-24(19-15(13)18(21)22-9-23-19)20-17(27)16(26)14(8-25)28-20/h3-7,9-10,14,16-17,20,25-27H,8H2,1-2H3,(H2,21,22,23)/t14-,16-,17-,20-/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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507532 (CHEMBL4576288) Show SMILES Cn1ccc2c1n([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ncnc(-c3ccco3)c21 |r| Show InChI InChI=1S/C18H18N4O5/c1-21-5-4-9-12-13(10-3-2-6-26-10)19-8-20-16(12)22(17(9)21)18-15(25)14(24)11(7-23)27-18/h2-6,8,11,14-15,18,23-25H,7H2,1H3/t11-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507530 (CHEMBL4455893) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ccoc2c2c(ncnc12)-c1ccco1 |r| Show InChI InChI=1S/C17H15N3O6/c21-6-10-13(22)14(23)17(26-10)20-8-3-5-25-15(8)11-12(9-2-1-4-24-9)18-7-19-16(11)20/h1-5,7,10,13-14,17,21-23H,6H2/t10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350204 (CHEMBL1814773) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N5O4/c16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15/h1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19)/t9-,11-,12-,15-/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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350209 (CHEMBL1814780) Show SMILES Nc1ncnc2n(cc(-c3ncc[nH]3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-11-8-6(12-16-1-2-17-12)3-20(13(8)19-5-18-11)14-10(23)9(22)7(4-21)24-14/h1-3,5,7,9-10,14,21-23H,4H2,(H,16,17)(H2,15,18,19)/t7-,9-,10-,14-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350204 (CHEMBL1814773) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N5O4/c16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15/h1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350202 (CHEMBL1814770) Show SMILES Nc1ncnc2n(cc(-c3ccsc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O4S/c16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350201 (CHEMBL1814769) Show SMILES Nc1ncnc2n(cc(-c3ccoc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O5/c16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350200 (CHEMBL1814768) Show SMILES Nc1ncnc2n(cc(-c3cccs3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O4S/c16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15/h1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18)/t8-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350198 (CHEMBL1814766) Show SMILES Nc1ncnc2n(cc(-c3ccc4ccccc4c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-6-5-11-3-1-2-4-12(11)7-13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350194 (CHEMBL1814762) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N4O4/c18-15-12-10(9-4-2-1-3-5-9)6-21(16(12)20-8-19-15)17-14(24)13(23)11(7-22)25-17/h1-6,8,11,13-14,17,22-24H,7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350202 (CHEMBL1814770) Show SMILES Nc1ncnc2n(cc(-c3ccsc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O4S/c16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350200 (CHEMBL1814768) Show SMILES Nc1ncnc2n(cc(-c3cccs3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O4S/c16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15/h1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18)/t8-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350201 (CHEMBL1814769) Show SMILES Nc1ncnc2n(cc(-c3ccoc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O5/c16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350199 (CHEMBL1814767) Show SMILES Nc1ncnc2n(cc(-c3ccco3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H16N4O5/c16-13-10-7(8-2-1-3-23-8)4-19(14(10)18-6-17-13)15-12(22)11(21)9(5-20)24-15/h1-4,6,9,11-12,15,20-22H,5H2,(H2,16,17,18)/t9-,11-,12-,15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350198 (CHEMBL1814766) Show SMILES Nc1ncnc2n(cc(-c3ccc4ccccc4c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-6-5-11-3-1-2-4-12(11)7-13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350195 (CHEMBL1814763) Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C18H20N4O5/c1-26-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)27-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350194 (CHEMBL1814762) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N4O4/c18-15-12-10(9-4-2-1-3-5-9)6-21(16(12)20-8-19-15)17-14(24)13(23)11(7-22)25-17/h1-6,8,11,13-14,17,22-24H,7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507534 (CHEMBL4580524) Show SMILES Cn1ccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc(-c4ccco4)c3c12 |r| Show InChI InChI=1S/C18H18N4O5/c1-21-5-4-9-14(21)12-13(10-3-2-6-26-10)19-8-20-17(12)22(9)18-16(25)15(24)11(7-23)27-18/h2-6,8,11,15-16,18,23-25H,7H2,1H3/t11-,15-,16-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350196 (CHEMBL1814764) Show SMILES CSc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C18H20N4O4S/c1-27-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)26-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507533 (CHEMBL4585910) Show SMILES Cc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ccoc3c12 |r| Show InChI InChI=1S/C14H15N3O5/c1-6-9-12-7(2-3-21-12)17(13(9)16-5-15-6)14-11(20)10(19)8(4-18)22-14/h2-3,5,8,10-11,14,18-20H,4H2,1H3/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350206 (CHEMBL1814775) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350205 (CHEMBL1814774) Show SMILES Nc1ncnc2n(cc(-c3cn[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350197 (CHEMBL1814765) Show SMILES Nc1ncnc2n(cc(-c3cccc4ccccc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-7-3-5-11-4-1-2-6-12(11)13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350203 (CHEMBL1814771) Show SMILES Nc1ncnc2n(cc(-c3cc4ccccc4o3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H18N4O5/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22)/t13-,15-,16-,19-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028663 (CHEMBL3342663) Show SMILES Nc1ncnc2n(cc(-c3ccc(cc3)C(F)(F)F)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17F3N4O4/c19-18(20,21)9-3-1-8(2-4-9)10-5-25(16-12(10)15(22)23-7-24-16)17-14(28)13(27)11(6-26)29-17/h1-5,7,11,13-14,17,26-28H,6H2,(H2,22,23,24)/t11-,13-,14-,17-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028664 (CHEMBL3342664) Show SMILES CC(C)Oc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C20H24N4O5/c1-10(2)28-12-5-3-11(4-6-12)13-7-24(19-15(13)18(21)22-9-23-19)20-17(27)16(26)14(8-25)29-20/h3-7,9-10,14,16-17,20,25-27H,8H2,1-2H3,(H2,21,22,23)/t14-,16-,17-,20-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028665 (CHEMBL3342665) Show SMILES Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N4O6/c19-16-13-9(8-1-2-10-11(3-8)27-7-26-10)4-22(17(13)21-6-20-16)18-15(25)14(24)12(5-23)28-18/h1-4,6,12,14-15,18,23-25H,5,7H2,(H2,19,20,21)/t12-,14-,15-,18-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028666 (CHEMBL3342666) Show SMILES COc1cc(cc(OC)c1OC)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C20H24N4O7/c1-28-11-4-9(5-12(29-2)17(11)30-3)10-6-24(19-14(10)18(21)22-8-23-19)20-16(27)15(26)13(7-25)31-20/h4-6,8,13,15-16,20,25-27H,7H2,1-3H3,(H2,21,22,23)/t13-,15-,16-,20-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028667 (CHEMBL3342667) Show SMILES Nc1ncnc2n(cc(-c3ccc4CCc5cccc3c45)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H22N4O4/c24-21-18-15(13-7-6-12-5-4-11-2-1-3-14(13)17(11)12)8-27(22(18)26-10-25-21)23-20(30)19(29)16(9-28)31-23/h1-3,6-8,10,16,19-20,23,28-30H,4-5,9H2,(H2,24,25,26)/t16-,19-,20-,23-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028668 (CHEMBL3342668) Show SMILES Nc1ncnc2n(cc(-c3cc4ccccc4c4ccccc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H22N4O4/c26-23-20-18(17-9-13-5-1-2-6-14(13)15-7-3-4-8-16(15)17)10-29(24(20)28-12-27-23)25-22(32)21(31)19(11-30)33-25/h1-10,12,19,21-22,25,30-32H,11H2,(H2,26,27,28)/t19-,21-,22-,25-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028669 (CHEMBL3342669) Show SMILES Nc1ncnc2n(cc(-c3cccc4c5ccccc5oc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H20N4O5/c24-21-17-14(13-6-3-5-12-11-4-1-2-7-15(11)31-20(12)13)8-27(22(17)26-10-25-21)23-19(30)18(29)16(9-28)32-23/h1-8,10,16,18-19,23,28-30H,9H2,(H2,24,25,26)/t16-,18-,19-,23-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028671 (CHEMBL3342671) Show SMILES Nc1ncnc2n(cc(-c3cccc4Sc5ccccc5Sc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H20N4O4S2/c24-21-17-12(11-4-3-7-16-20(11)33-15-6-2-1-5-14(15)32-16)8-27(22(17)26-10-25-21)23-19(30)18(29)13(9-28)31-23/h1-8,10,13,18-19,23,28-30H,9H2,(H2,24,25,26)/t13-,18-,19-,23-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50028673 (CHEMBL3342672) Show SMILES Nc1ncnc2n(cc(\C=C\c3ccccc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N4O4/c20-17-14-12(7-6-11-4-2-1-3-5-11)8-23(18(14)22-10-21-17)19-16(26)15(25)13(9-24)27-19/h1-8,10,13,15-16,19,24-26H,9H2,(H2,20,21,22)/b7-6+/t13-,15-,16-,19-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350196 (CHEMBL1814764) Show SMILES CSc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C18H20N4O4S/c1-27-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)26-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350197 (CHEMBL1814765) Show SMILES Nc1ncnc2n(cc(-c3cccc4ccccc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-7-3-5-11-4-1-2-6-12(11)13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350203 (CHEMBL1814771) Show SMILES Nc1ncnc2n(cc(-c3cc4ccccc4o3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H18N4O5/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22)/t13-,15-,16-,19-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350206 (CHEMBL1814775) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350208 (CHEMBL1814779) Show SMILES Nc1ncnc2n(cc(-c3c[nH]cn3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-16-4-17-7)2-20(13(9)19-5-18-12)14-11(23)10(22)8(3-21)24-14/h1-2,4-5,8,10-11,14,21-23H,3H2,(H,16,17)(H2,15,18,19)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507509 (CHEMBL4589668) Show SMILES CN(C)c1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ccn(C)c3c12 |r| Show InChI InChI=1S/C16H21N5O4/c1-19(2)14-10-11-8(4-5-20(11)3)21(15(10)18-7-17-14)16-13(24)12(23)9(6-22)25-16/h4-5,7,9,12-13,16,22-24H,6H2,1-3H3/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50507510 (CHEMBL4517245) Show SMILES Cn1ccc2c3c(N)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r| Show InChI InChI=1S/C14H17N5O4/c1-18-3-2-6-8-11(15)16-5-17-12(8)19(13(6)18)14-10(22)9(21)7(4-20)23-14/h2-3,5,7,9-10,14,20-22H,4H2,1H3,(H2,15,16,17)/t7-,9-,10-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
					More data for this Ligand-Target Pair

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