Compile Data Set for Download or QSAR

Found 421 hits with Last Name = 'mcgaraughty' and Initial = 's'   

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))	BDBM50095366 (5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES Nc1ncnc2nc(cc(Cc3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095367 (5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-py...) Show SMILES CC1CCCC(C1C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C24H30N6O/c1-15-4-3-5-18(16(15)2)19-12-20(29-24-22(19)23(25)27-14-28-24)17-6-7-21(26-13-17)30-8-10-31-11-9-30/h6-7,12-16,18H,3-5,8-11H2,1-2H3,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095359 (5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-p...) Show SMILES CC(c1ccccc1Br)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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 (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))	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))	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))	BDBM50102928 (5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCSCC1 Show InChI InChI=1S/C22H19BrN6S/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	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102925 (5-(3-Bromo-phenyl)-7-[6-(1,4-dioxa-8-aza-spiro[4.5...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(12-18)19-13-20(31-24-22(19)23(27)29-15-30-24)17-4-5-21(28-14-17)32-8-6-25(7-9-32)33-10-11-34-25/h1-5,12-15H,6-11H2,(H2,27,29,30,31)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested for inhibitory activity against AK in an in vitro cell-free enzyme assay				J Med Chem 43: 4781-6 (2000) BindingDB Entry DOI: 10.7270/Q289154F
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102927 (5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1 Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					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))	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095377 (5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-py...) Show SMILES Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C21H24N6O/c22-20-19-16(14-3-1-2-4-14)11-17(26-21(19)25-13-24-20)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,1-4,7-10H2,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132280 (5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095379 (5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...) Show SMILES Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N6O/c23-21-20-17(15-4-2-1-3-5-15)12-18(27-22(20)26-14-25-21)16-6-7-19(24-13-16)28-8-10-29-11-9-28/h6-7,12-15H,1-5,8-11H2,(H2,23,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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))	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 (Rattus norvegicus (rat))	BDBM50095362 (5-(2-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES Nc1ncnc2nc(cc(-c3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H19BrN6O/c23-17-4-2-1-3-15(17)16-11-18(28-22-20(16)21(24)26-13-27-22)14-5-6-19(25-12-14)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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))	BDBM50102924 (5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCCC1 Show InChI InChI=1S/C22H19BrN6/c23-16-5-3-4-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-6-7-19(25-12-15)29-8-1-2-9-29/h3-7,10-13H,1-2,8-9H2,(H2,24,26,27,28)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102923 (5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl...) Show SMILES CN(Cc1cccnc1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H20BrN7/c1-33(14-16-4-3-9-28-12-16)22-8-7-18(13-29-22)21-11-20(17-5-2-6-19(26)10-17)23-24(27)30-15-31-25(23)32-21/h2-13,15H,14H2,1H3,(H2,27,30,31,32)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	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	4.12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095373 (5-(2,3-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridi...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Cl)c3Cl)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H18Cl2N6O/c23-16-3-1-2-14(20(16)24)15-10-17(29-22-19(15)21(25)27-12-28-22)13-4-5-18(26-11-13)30-6-8-31-9-7-30/h1-5,10-12H,6-9H2,(H2,25,27,28,29)	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 Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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 (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 Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (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 Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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))	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))	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))	BDBM50132273 (1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C22H19BrN6O2/c23-14-3-1-2-12(6-14)15-7-16(28-22-20(15)21(24)26-11-27-22)13-4-5-19(25-8-13)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H2,24,26,27,28)/t17-,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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					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 Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132275 (1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C27H27BrN8O2/c28-18-3-1-2-17(14-18)21-15-23(32-27-25(21)26(29)30-16-31-27)22-4-5-24(34-33-22)36-10-6-19(7-11-36)35-38-20-8-12-37-13-9-20/h1-5,14-16,20H,6-13H2,(H2,29,30,31,32)	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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132279 (5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...) Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132272 (5-(3-Bromo-phenyl)-7-[6-(2-oxa-5-aza-bicyclo[2.2.1...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CC2CC1CO2 Show InChI InChI=1S/C23H19BrN6O/c24-15-3-1-2-13(6-15)18-8-19(29-23-21(18)22(25)27-12-28-23)14-4-5-20(26-9-14)30-10-17-7-16(30)11-31-17/h1-6,8-9,12,16-17H,7,10-11H2,(H2,25,27,28,29)	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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132281 (1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@@H](O)[C@H](C1)C#N Show InChI InChI=1S/C23H18BrN7O/c24-16-3-1-2-13(6-16)17-7-18(30-23-21(17)22(26)28-12-29-23)14-4-5-20(27-9-14)31-10-15(8-25)19(32)11-31/h1-7,9,12,15,19,32H,10-11H2,(H2,26,28,29,30)/t15-,19+/m0/s1	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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined in cell assay				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					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
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50212239 (5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...) Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 human Nav1.8 channel expressed in human HEK293 cells by patch clamp method				Proc Natl Acad Sci USA 104: 8520-5 (2007) Article DOI: 10.1073/pnas.0611364104 BindingDB Entry DOI: 10.7270/Q2J10411
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102926 (5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...) Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C28H28BrN7O2/c29-20-3-1-2-18(14-20)23-15-24(34-28-26(23)27(30)32-17-33-28)19-4-5-25(31-16-19)36-10-6-21(7-11-36)35-38-22-8-12-37-13-9-22/h1-5,14-17,22H,6-13H2,(H2,30,32,33,34)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					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
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50212239 (5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...) Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 human Nav1.8 channel expressed in HEK293 cells at -40 mV by patch clamp method				Proc Natl Acad Sci USA 104: 8520-5 (2007) Article DOI: 10.1073/pnas.0611364104 BindingDB Entry DOI: 10.7270/Q2J10411
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50132285 (3-{5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyr...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)(CC1)C1CCOC1=O Show InChI InChI=1S/C27H25BrN6O3/c28-18-3-1-2-16(12-18)19-13-21(33-25-23(19)24(29)31-15-32-25)17-4-5-22(30-14-17)34-9-7-27(36,8-10-34)20-6-11-37-26(20)35/h1-5,12-15,20,36H,6-11H2,(H2,29,31,32,33)	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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined in cell assay				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132276 (5-(3-Bromo-phenyl)-7-[6-(1,3-dioxa-8-aza-spiro[4.5...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(COCO2)CC1 Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(10-18)19-11-20(31-24-22(19)23(27)29-14-30-24)17-4-5-21(28-12-17)32-8-6-25(7-9-32)13-33-15-34-25/h1-5,10-12,14H,6-9,13,15H2,(H2,27,29,30,31)	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					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 (Rattus norvegicus (rat))	BDBM50095364 (5-(1-Ethyl-propyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES CCC(CC)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C21H26N6O/c1-3-14(4-2)16-11-17(26-21-19(16)20(22)24-13-25-21)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	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 (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

Displayed 1 to 50 (of 421 total )  |  Next  |  Last  >>

Jump to: