Found 14 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
(Homo sapiens (Human)) | BDBM50150308
(CHEMBL185372 | {5-[3-(3-Bromo-phenyl)-1-methyl-1H-...)Show SMILES CN(C)c1ccc(cn1)C#Cc1ncnc2n(C)nc(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C21H17BrN6/c1-27(2)18-10-8-14(12-23-18)7-9-17-19-20(15-5-4-6-16(22)11-15)26-28(3)21(19)25-13-24-17/h4-6,8,10-13H,1-3H3 | 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 | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150305
(3-(3-Bromo-phenyl)-4-(6-morpholin-4-yl-pyridin-3-y...)Show SMILES Brc1cccc(c1)-c1[nH]nc2ncnc(C#Cc3ccc(nc3)N3CCOCC3)c12 Show InChI InChI=1S/C22H17BrN6O/c23-17-3-1-2-16(12-17)21-20-18(25-14-26-22(20)28-27-21)6-4-15-5-7-19(24-13-15)29-8-10-30-11-9-29/h1-3,5,7,12-14H,8-11H2,(H,25,26,27,28) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50117167
(5-(3-Bromo-benzyl)-6-(6-morpholin-4-yl-pyridin-3-y...)Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1cccc(Br)c1 Show InChI InChI=1S/C22H20BrN5O/c23-18-3-1-2-17(12-18)13-19-20(26-15-27-22(19)24)6-4-16-5-7-21(25-14-16)28-8-10-29-11-9-28/h1-3,5,7,12,14-15H,8-11,13H2,(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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50117166
(CHEMBL120976 | N*5*-Benzyl-N*5*-methyl-6-(6-morpho...)Show SMILES CN(Cc1ccccc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(16-19-5-3-2-4-6-19)22-20(26-17-27-23(22)24)9-7-18-8-10-21(25-15-18)29-11-13-30-14-12-29/h2-6,8,10,15,17H,11-14,16H2,1H3,(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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150301
(CHEMBL182969 | [7-(6-Morpholin-4-yl-pyridin-3-yl)-...)Show SMILES C(CNc1ncnc2nc(cnc12)-c1ccc(nc1)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C24H25N7O/c1-2-5-18(6-3-1)7-4-10-25-23-22-24(29-17-28-23)30-20(16-27-22)19-8-9-21(26-15-19)31-11-13-32-14-12-31/h1-3,5-6,8-9,15-17H,4,7,10-14H2,(H,25,28,29,30) | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150311
(CHEMBL183671 | {5-[3-(3-Bromo-phenyl)-1H-pyrazolo[...)Show SMILES CN(C)c1ccc(cn1)C#Cc1ncnc2n[nH]c(-c3cccc(Br)c3)c12 Show InChI InChI=1S/C20H15BrN6/c1-27(2)17-9-7-13(11-22-17)6-8-16-18-19(14-4-3-5-15(21)10-14)25-26-20(18)24-12-23-16/h3-5,7,9-12H,1-2H3,(H,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150304
(3-(3-Bromo-phenyl)-1-methyl-4-(6-morpholin-4-yl-py...)Show SMILES Cn1nc(-c2cccc(Br)c2)c2c(ncnc12)C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H19BrN6O/c1-29-23-21(22(28-29)17-3-2-4-18(24)13-17)19(26-15-27-23)7-5-16-6-8-20(25-14-16)30-9-11-31-12-10-30/h2-4,6,8,13-15H,9-12H2,1H3 | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150303
(CHEMBL182321 | [7-(6-Morpholin-4-yl-pyridin-3-yl)-...)Show SMILES C(CCc1ccccc1)CNc1ncnc2nc(cnc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H27N7O/c1-2-6-19(7-3-1)8-4-5-11-26-24-23-25(30-18-29-24)31-21(17-28-23)20-9-10-22(27-16-20)32-12-14-33-15-13-32/h1-3,6-7,9-10,16-18H,4-5,8,11-15H2,(H,26,29,30,31) | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150302
(CHEMBL362855 | Dimethyl-[5-(3-phenyl-1H-pyrazolo[3...)Show SMILES CN(C)c1ccc(cn1)C#Cc1ncnc2n[nH]c(-c3ccccc3)c12 Show InChI InChI=1S/C20H16N6/c1-26(2)17-11-9-14(12-21-17)8-10-16-18-19(15-6-4-3-5-7-15)24-25-20(18)23-13-22-16/h3-7,9,11-13H,1-2H3,(H,22,23,24,25) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150300
(CHEMBL359631 | [7-(6-Morpholin-4-yl-pyridin-3-yl)-...)Show SMILES C(Cc1ccccc1)Nc1ncnc2nc(cnc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H23N7O/c1-2-4-17(5-3-1)8-9-24-22-21-23(28-16-27-22)29-19(15-26-21)18-6-7-20(25-14-18)30-10-12-31-13-11-30/h1-7,14-16H,8-13H2,(H,24,27,28,29) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150306
(CHEMBL369112 | [2-(1H-Indol-3-yl)-ethyl]-[7-(6-mor...)Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ncnc2nc(cnc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H24N8O/c1-2-4-20-19(3-1)17(13-27-20)7-8-26-24-23-25(31-16-30-24)32-21(15-29-23)18-5-6-22(28-14-18)33-9-11-34-12-10-33/h1-6,13-16,27H,7-12H2,(H,26,30,31,32) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150307
(7-(6-Morpholin-4-yl-pyridin-3-yl)-pteridin-4-ylami...)Show InChI InChI=1S/C15H15N7O/c16-14-13-15(20-9-19-14)21-11(8-18-13)10-1-2-12(17-7-10)22-3-5-23-6-4-22/h1-2,7-9H,3-6H2,(H2,16,19,20,21) | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150310
(5-Benzyl-6-(6-morpholin-4-yl-pyridin-3-yl)-5H-pyrr...)Show SMILES Nc1ncnc2cc(-c3ccc(nc3)N3CCOCC3)n(Cc3ccccc3)c12 Show InChI InChI=1S/C22H22N6O/c23-22-21-18(25-15-26-22)12-19(28(21)14-16-4-2-1-3-5-16)17-6-7-20(24-13-17)27-8-10-29-11-9-27/h1-7,12-13,15H,8-11,14H2,(H2,23,25,26) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50150309
(1-Benzyl-3-(3-bromo-phenyl)-4-(6-morpholin-4-yl-py...)Show SMILES Brc1cccc(c1)-c1nn(Cc2ccccc2)c2ncnc(C#Cc3ccc(nc3)N3CCOCC3)c12 Show InChI InChI=1S/C29H23BrN6O/c30-24-8-4-7-23(17-24)28-27-25(11-9-21-10-12-26(31-18-21)35-13-15-37-16-14-35)32-20-33-29(27)36(34-28)19-22-5-2-1-3-6-22/h1-8,10,12,17-18,20H,13-16,19H2 | 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
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay |
Bioorg Med Chem Lett 14: 4165-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.029
BindingDB Entry DOI: 10.7270/Q24F1Q5N |
More data for this
Ligand-Target Pair | |
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