Found 46 hits of Enzyme Inhibition Constant Data 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)) | BDBM50135894
(5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl...)Show SMILES Cc1ccc(cc1F)-c1c(nc2ncnc(N)c2c1-c1ccc(C)c(F)c1)-c1cccs1 Show InChI InChI=1S/C25H18F2N4S/c1-13-5-7-15(10-17(13)26)20-21(16-8-6-14(2)18(27)11-16)23(19-4-3-9-32-19)31-25-22(20)24(28)29-12-30-25/h3-12H,1-2H3,(H2,28,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article 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 Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135905
(5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...)Show SMILES COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cc(Br)cs1)-c1cccs1 Show InChI InChI=1S/C23H17BrN4O2S2/c1-29-14-6-5-12(8-15(14)30-2)18-19(17-9-13(24)10-32-17)20-22(25)26-11-27-23(20)28-21(18)16-4-3-7-31-16/h3-11H,1-2H3,(H2,25,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135900
(5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidi...)Show SMILES Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12 Show InChI InChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135888
(5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...)Show SMILES COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H28BrN5O3S/c1-35(11-12-36-2)20-8-5-17(6-9-20)27-24(18-7-10-21(37-3)22(13-18)38-4)25(23-14-19(30)15-39-23)26-28(31)32-16-33-29(26)34-27/h5-10,13-16H,11-12H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135891
(CHEMBL346622 | [4-Amino-5-(3-bromo-phenyl)-7-thiop...)Show SMILES COC(=O)Cc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1cccs1 Show InChI InChI=1S/C20H15BrN4O2S/c1-27-15(26)9-13-16(11-4-2-5-12(21)8-11)17-19(22)23-10-24-20(17)25-18(13)14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H2,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135899
(5-(3-Bromo-phenyl)-6-(3,4-dimethoxy-phenyl)-7-(4-d...)Show SMILES COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C29H26BrN5O2/c1-35(2)21-11-8-17(9-12-21)27-25(19-10-13-22(36-3)23(15-19)37-4)24(18-6-5-7-20(30)14-18)26-28(31)32-16-33-29(26)34-27/h5-16H,1-4H3,(H2,31,32,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135898
(7-(6-Dimethylamino-pyridin-3-yl)-5,6-diphenyl-pyri...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135897
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C28H23BrN6O/c29-21-8-4-7-19(15-21)23-24(18-5-2-1-3-6-18)26(34-28-25(23)27(30)32-17-33-28)20-9-10-22(31-16-20)35-11-13-36-14-12-35/h1-10,15-17H,11-14H2,(H2,30,32,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135893
(5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-y...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Cl)c2)c1-c1ccccc1 Show InChI InChI=1S/C26H21ClN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h3-15H,1-2H3,(H2,28,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135889
(5-(3-Bromo-phenyl)-6-(4-fluoro-phenyl)-7-(6-morpho...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C28H22BrFN6O/c29-20-3-1-2-18(14-20)23-24(17-4-7-21(30)8-5-17)26(35-28-25(23)27(31)33-16-34-28)19-6-9-22(32-15-19)36-10-12-37-13-11-36/h1-9,14-16H,10-13H2,(H2,31,33,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135904
(7-(4-Dimethylamino-phenyl)-5,6-bis-(4-isopropyl-ph...)Show SMILES CC(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1ccc(cc1)C(C)C)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C33H35N5/c1-20(2)22-7-11-24(12-8-22)28-29(25-13-9-23(10-14-25)21(3)4)31(26-15-17-27(18-16-26)38(5)6)37-33-30(28)32(34)35-19-36-33/h7-21H,1-6H3,(H2,34,35,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
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
| Article 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 Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135896
(7-(4-Dimethylamino-phenyl)-5,6-diphenyl-pyrido[2,3...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C27H23N5/c1-32(2)21-15-13-20(14-16-21)25-23(19-11-7-4-8-12-19)22(18-9-5-3-6-10-18)24-26(28)29-17-30-27(24)31-25/h3-17H,1-2H3,(H2,28,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135905
(5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...)Show SMILES COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cc(Br)cs1)-c1cccs1 Show InChI InChI=1S/C23H17BrN4O2S2/c1-29-14-6-5-12(8-15(14)30-2)18-19(17-9-13(24)10-32-17)20-22(25)26-11-27-23(20)28-21(18)16-4-3-7-31-16/h3-11H,1-2H3,(H2,25,26,27,28) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135906
(5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(...)Show SMILES CN(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1cccc(Cl)c1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C30H28ClN7O/c1-37(2)23-9-6-19(7-10-23)26-25(20-4-3-5-22(31)16-20)27-29(32)34-18-35-30(27)36-28(26)21-8-11-24(33-17-21)38-12-14-39-15-13-38/h3-11,16-18H,12-15H2,1-2H3,(H2,32,34,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135900
(5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidi...)Show SMILES Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12 Show InChI InChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135898
(7-(6-Dimethylamino-pyridin-3-yl)-5,6-diphenyl-pyri...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135895
(5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...)Show SMILES CCCCCc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C25H27BrN6/c1-4-5-6-10-19-21(16-8-7-9-18(26)13-16)22-24(27)29-15-30-25(22)31-23(19)17-11-12-20(28-14-17)32(2)3/h7-9,11-15H,4-6,10H2,1-3H3,(H2,27,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135890
(5-(4-Bromo-thiophen-2-yl)-6-cyclopropyl-7-(6-dimet...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1C1CC1 Show InChI InChI=1S/C21H19BrN6S/c1-28(2)15-6-5-12(8-24-15)19-16(11-3-4-11)17(14-7-13(22)9-29-14)18-20(23)25-10-26-21(18)27-19/h5-11H,3-4H2,1-2H3,(H2,23,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135902
(6-Benzyl-5-(3-bromo-phenyl)-7-(6-morpholin-4-yl-py...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C29H25BrN6O/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36/h1-10,16-18H,11-15H2,(H2,31,33,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135893
(5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-y...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Cl)c2)c1-c1ccccc1 Show InChI InChI=1S/C26H21ClN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h3-15H,1-2H3,(H2,28,30,31,32) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135906
(5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(...)Show SMILES CN(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1cccc(Cl)c1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C30H28ClN7O/c1-37(2)23-9-6-19(7-10-23)26-25(20-4-3-5-22(31)16-20)27-29(32)34-18-35-30(27)36-28(26)21-8-11-24(33-17-21)38-12-14-39-15-13-38/h3-11,16-18H,12-15H2,1-2H3,(H2,32,34,35,36) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135897
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C28H23BrN6O/c29-21-8-4-7-19(15-21)23-24(18-5-2-1-3-6-18)26(34-28-25(23)27(30)32-17-33-28)20-9-10-22(31-16-20)35-11-13-36-14-12-35/h1-10,15-17H,11-14H2,(H2,30,32,33,34) | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135891
(CHEMBL346622 | [4-Amino-5-(3-bromo-phenyl)-7-thiop...)Show SMILES COC(=O)Cc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1cccs1 Show InChI InChI=1S/C20H15BrN4O2S/c1-27-15(26)9-13-16(11-4-2-5-12(21)8-11)17-19(22)23-10-24-20(17)25-18(13)14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H2,22,23,24,25) | 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 | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135889
(5-(3-Bromo-phenyl)-6-(4-fluoro-phenyl)-7-(6-morpho...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C28H22BrFN6O/c29-20-3-1-2-18(14-20)23-24(17-4-7-21(30)8-5-17)26(35-28-25(23)27(31)33-16-34-28)19-6-9-22(32-15-19)36-10-12-37-13-11-36/h1-9,14-16H,10-13H2,(H2,31,33,34,35) | 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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135896
(7-(4-Dimethylamino-phenyl)-5,6-diphenyl-pyrido[2,3...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C27H23N5/c1-32(2)21-15-13-20(14-16-21)25-23(19-11-7-4-8-12-19)22(18-9-5-3-6-10-18)24-26(28)29-17-30-27(24)31-25/h3-17H,1-2H3,(H2,28,29,30,31) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135894
(5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl...)Show SMILES Cc1ccc(cc1F)-c1c(nc2ncnc(N)c2c1-c1ccc(C)c(F)c1)-c1cccs1 Show InChI InChI=1S/C25H18F2N4S/c1-13-5-7-15(10-17(13)26)20-21(16-8-6-14(2)18(27)11-16)23(19-4-3-9-32-19)31-25-22(20)24(28)29-12-30-25/h3-12H,1-2H3,(H2,28,29,30,31) | 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 | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135901
(5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1 Show InChI InChI=1S/C26H27BrN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h6,9-16H,3-5,7-8H2,1-2H3,(H2,28,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135899
(5-(3-Bromo-phenyl)-6-(3,4-dimethoxy-phenyl)-7-(4-d...)Show SMILES COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C29H26BrN5O2/c1-35(2)21-11-8-17(9-12-21)27-25(19-10-13-22(36-3)23(15-19)37-4)24(18-6-5-7-20(30)14-18)26-28(31)32-16-33-29(26)34-27/h5-16H,1-4H3,(H2,31,32,33,34) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135907
(7-(4-Dimethylamino-phenyl)-6-phenyl-pyrido[2,3-d]p...)Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)19-17(14-6-4-3-5-7-14)12-18-20(22)23-13-24-21(18)25-19/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
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135888
(5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...)Show SMILES COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H28BrN5O3S/c1-35(11-12-36-2)20-8-5-17(6-9-20)27-24(18-7-10-21(37-3)22(13-18)38-4)25(23-14-19(30)15-39-23)26-28(31)32-16-33-29(26)34-27/h5-10,13-16H,11-12H2,1-4H3,(H2,31,32,33,34) | 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 | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135903
(5-(3-Bromo-phenyl)-6-isopropyl-7-(6-morpholin-4-yl...)Show SMILES CC(C)c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H25BrN6O/c1-15(2)20-21(16-4-3-5-18(26)12-16)22-24(27)29-14-30-25(22)31-23(20)17-6-7-19(28-13-17)32-8-10-33-11-9-32/h3-7,12-15H,8-11H2,1-2H3,(H2,27,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50135892
(7-(4-Chloro-phenyl)-4-morpholin-4-yl-pteridine | C...)Show InChI InChI=1S/C16H14ClN5O/c17-12-3-1-11(2-4-12)13-9-18-14-15(21-13)19-10-20-16(14)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50095388
(7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...)Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135902
(6-Benzyl-5-(3-bromo-phenyl)-7-(6-morpholin-4-yl-py...)Show SMILES Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C29H25BrN6O/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36/h1-10,16-18H,11-15H2,(H2,31,33,34,35) | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50095358
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1 Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 467 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135895
(5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...)Show SMILES CCCCCc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C25H27BrN6/c1-4-5-6-10-19-21(16-8-7-9-18(26)13-16)22-24(27)29-15-30-25(22)31-23(19)17-11-12-20(28-14-17)32(2)3/h7-9,11-15H,4-6,10H2,1-3H3,(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
| Article PubMed
| n/a | n/a | 625 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135890
(5-(4-Bromo-thiophen-2-yl)-6-cyclopropyl-7-(6-dimet...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1C1CC1 Show InChI InChI=1S/C21H19BrN6S/c1-28(2)15-6-5-12(8-24-15)19-16(11-3-4-11)17(14-7-13(22)9-29-14)18-20(23)25-10-26-21(18)27-19/h5-11H,3-4H2,1-2H3,(H2,23,25,26,27) | 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 | 625 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50095382
(7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...)Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 773 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition adenosine kinase activity in rat brain in vitro |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135901
(5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino...)Show SMILES CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1 Show InChI InChI=1S/C26H27BrN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h6,9-16H,3-5,7-8H2,1-2H3,(H2,28,30,31,32) | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135904
(7-(4-Dimethylamino-phenyl)-5,6-bis-(4-isopropyl-ph...)Show SMILES CC(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1ccc(cc1)C(C)C)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C33H35N5/c1-20(2)22-7-11-24(12-8-22)28-29(25-13-9-23(10-14-25)21(3)4)31(26-15-17-27(18-16-26)38(5)6)37-33-30(28)32(34)35-19-36-33/h7-21H,1-6H3,(H2,34,35,36,37) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135903
(5-(3-Bromo-phenyl)-6-isopropyl-7-(6-morpholin-4-yl...)Show SMILES CC(C)c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H25BrN6O/c1-15(2)20-21(16-4-3-5-18(26)12-16)22-24(27)29-14-30-25(22)31-23(20)17-6-7-19(28-13-17)32-8-10-33-11-9-32/h3-7,12-15H,8-11H2,1-2H3,(H2,27,29,30,31) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135907
(7-(4-Dimethylamino-phenyl)-6-phenyl-pyrido[2,3-d]p...)Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)19-17(14-6-4-3-5-7-14)12-18-20(22)23-13-24-21(18)25-19/h3-13H,1-2H3,(H2,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50095388
(7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...)Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50095382
(7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...)Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50135892
(7-(4-Chloro-phenyl)-4-morpholin-4-yl-pteridine | C...)Show InChI InChI=1S/C16H14ClN5O/c17-12-3-1-11(2-4-12)13-9-18-14-15(21-13)19-10-20-16(14)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2 | 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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells |
J Med Chem 46: 5249-57 (2003)
Article DOI: 10.1021/jm030327l BindingDB Entry DOI: 10.7270/Q2W66K6R |
More data for this Ligand-Target Pair | |