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PubMed code 11123986

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine kinase


(Homo sapiens (Human))
BDBM50094703
PNG
(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)
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n/an/a 1.70n/an/an/an/an/an/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))
BDBM50094704
PNG
(CHEMBL116872 | N*5*-(1H-Indol-3-ylmethyl)-7-(6-mor...)
Show SMILES Nc1ncnc2nc(cc(NCc3c[nH]c4ccccc34)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H24N8O/c26-24-23-21(28-14-17-13-27-19-4-2-1-3-18(17)19)11-20(32-25(23)31-15-30-24)16-5-6-22(29-12-16)33-7-9-34-10-8-33/h1-6,11-13,15,27H,7-10,14H2,(H3,26,28,30,31,32)
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n/an/a 10n/an/an/an/an/an/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))
BDBM50094705
PNG
(CHEMBL356339 | N*5*-[2-(1H-Indol-3-yl)-ethyl]-7-(6...)
Show SMILES Nc1ncnc2nc(cc(NCCc3c[nH]c4ccccc34)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H26N8O/c27-25-24-22(28-8-7-17-14-29-20-4-2-1-3-19(17)20)13-21(33-26(24)32-16-31-25)18-5-6-23(30-15-18)34-9-11-35-12-10-34/h1-6,13-16,29H,7-12H2,(H3,27,28,31,32,33)
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n/an/a 23n/an/an/an/an/an/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))
BDBM50078824
PNG
(2-Phenyl-1H-imidazole | CHEMBL14189 | US9138393, 2...)
Show SMILES c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
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n/an/an/a 3.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase


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))
BDBM50094702
PNG
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Show SMILES c1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
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PubMed
n/an/an/a 3.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase


J Med Chem 43: 4781-6 (2000)


BindingDB Entry DOI: 10.7270/Q289154F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%