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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'feng' and Initial = 'jy'   
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))
BDBM50350205
PNG
(CHEMBL1814774)
Show SMILES Nc1ncnc2n(cc(-c3cn[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N6O4/c15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350207
PNG
(CHEMBL1814776)
Show SMILES Nc1ncnc2n(cc(C#C)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H14N4O4/c1-2-6-3-17(12-8(6)11(14)15-5-16-12)13-10(20)9(19)7(4-18)21-13/h1,3,5,7,9-10,13,18-20H,4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase beta


(Homo sapiens (Human))
BDBM50164648
PNG
(2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
BindingDB Entry DOI: 10.7270/Q2M047Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens (Human))
BDBM50350195
PNG
(CHEMBL1814763)
Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C18H20N4O5/c1-26-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)27-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350199
PNG
(CHEMBL1814767)
Show SMILES Nc1ncnc2n(cc(-c3ccco3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H16N4O5/c16-13-10-7(8-2-1-3-23-8)4-19(14(10)18-6-17-13)15-12(22)11(21)9(5-20)24-15/h1-4,6,9,11-12,15,20-22H,5H2,(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350202
PNG
(CHEMBL1814770)
Show SMILES Nc1ncnc2n(cc(-c3ccsc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H16N4O4S/c16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350201
PNG
(CHEMBL1814769)
Show SMILES Nc1ncnc2n(cc(-c3ccoc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H16N4O5/c16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15/h1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350200
PNG
(CHEMBL1814768)
Show SMILES Nc1ncnc2n(cc(-c3cccs3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H16N4O4S/c16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15/h1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18)/t8-,11-,12-,15-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350198
PNG
(CHEMBL1814766)
Show SMILES Nc1ncnc2n(cc(-c3ccc4ccccc4c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-6-5-11-3-1-2-4-12(11)7-13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350194
PNG
(CHEMBL1814762)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-12-10(9-4-2-1-3-5-9)6-21(16(12)20-8-19-15)17-14(24)13(23)11(7-22)25-17/h1-6,8,11,13-14,17,22-24H,7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350204
PNG
(CHEMBL1814773)
Show SMILES Nc1ncnc2n(cc(-c3cc[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H17N5O4/c16-13-10-8(7-1-2-17-3-7)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15/h1-4,6,9,11-12,15,17,21-23H,5H2,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350209
PNG
(CHEMBL1814780)
Show SMILES Nc1ncnc2n(cc(-c3ncc[nH]3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N6O4/c15-11-8-6(12-16-1-2-17-12)3-20(13(8)19-5-18-11)14-10(23)9(22)7(4-21)24-14/h1-3,5,7,9-10,14,21-23H,4H2,(H,16,17)(H2,15,18,19)/t7-,9-,10-,14-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350206
PNG
(CHEMBL1814775)
Show SMILES Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350197
PNG
(CHEMBL1814765)
Show SMILES Nc1ncnc2n(cc(-c3cccc4ccccc34)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H20N4O4/c22-19-16-14(13-7-3-5-11-4-1-2-6-12(11)13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24)/t15-,17-,18-,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350208
PNG
(CHEMBL1814779)
Show SMILES Nc1ncnc2n(cc(-c3c[nH]cn3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-16-4-17-7)2-20(13(9)19-5-18-12)14-11(23)10(22)8(3-21)24-14/h1-2,4-5,8,10-11,14,21-23H,3H2,(H,16,17)(H2,15,18,19)/t8-,10-,11-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350196
PNG
(CHEMBL1814764)
Show SMILES CSc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C18H20N4O4S/c1-27-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)26-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350203
PNG
(CHEMBL1814771)
Show SMILES Nc1ncnc2n(cc(-c3cc4ccccc4o3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H18N4O5/c20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19/h1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22)/t13-,15-,16-,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50237537
PNG
(CHEMBL4093601)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1c1cnc2c(N)ncnn12 |r|
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n/an/a>2.00E+5n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
BindingDB Entry DOI: 10.7270/Q2M047Q1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase, mitochondrial


(Homo sapiens (Human))
BDBM50236025
PNG
(CHEMBL2016761)
Show SMILES Nc1ncnn2c(ccc12)[C@@]1(O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C#N |r|
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n/an/a>2.00E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL




J Med Chem 60: 1648-1661 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01594
BindingDB Entry DOI: 10.7270/Q2QZ2D7N
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50236025
PNG
(CHEMBL2016761)
Show SMILES Nc1ncnn2c(ccc12)[C@@]1(O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL




J Med Chem 60: 1648-1661 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01594
BindingDB Entry DOI: 10.7270/Q2QZ2D7N
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50236025
PNG
(CHEMBL2016761)
Show SMILES Nc1ncnn2c(ccc12)[C@@]1(O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C#N |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL




J Med Chem 60: 1648-1661 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01594
BindingDB Entry DOI: 10.7270/Q2QZ2D7N
More data for this
Ligand-Target Pair