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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'zhao' and Initial = 'lx'   
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 receptor A3


(Homo sapiens (Human))
BDBM50252829
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237784
PNG
(CHEMBL4088081)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
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0.570n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237775
PNG
(CHEMBL4068467)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237788
PNG
(CHEMBL4087331)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237770
PNG
(CHEMBL4067750)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
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1.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237782
PNG
(CHEMBL4059977)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
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1.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237789
PNG
(CHEMBL4103146)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4ccccc4c3)ncnc12 |r|
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1.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237778
PNG
(CHEMBL4103705)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
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1.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237780
PNG
(CHEMBL4102379)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
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2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237786
PNG
(CHEMBL4068634)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
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2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237777
PNG
(CHEMBL4078444)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
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2.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237771
PNG
(CHEMBL4090519)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
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2.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237781
PNG
(CHEMBL4084951)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 |r|
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237776
PNG
(CHEMBL4095809)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
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3.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237785
PNG
(CHEMBL4065920)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
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3.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237774
PNG
(CHEMBL4059807)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12 |r|
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3.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12 |r|
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3.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237779
PNG
(CHEMBL4079448)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
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4.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237773
PNG
(CHEMBL4080205)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12 |r|
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4.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50237783
PNG
(CHEMBL4094418)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
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7.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50252829
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237783
PNG
(CHEMBL4094418)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
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25n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237770
PNG
(CHEMBL4067750)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
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38n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237785
PNG
(CHEMBL4065920)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
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59n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237788
PNG
(CHEMBL4087331)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
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62n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237771
PNG
(CHEMBL4090519)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
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84n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237780
PNG
(CHEMBL4102379)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
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156n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237778
PNG
(CHEMBL4103705)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
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186n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from serotonin transporter of rat brain membrane


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237789
PNG
(CHEMBL4103146)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4ccccc4c3)ncnc12 |r|
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195n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237775
PNG
(CHEMBL4068467)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
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220n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237786
PNG
(CHEMBL4068634)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
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232n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237786
PNG
(CHEMBL4068634)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
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238n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237779
PNG
(CHEMBL4079448)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
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311n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12 |r|
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420n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237789
PNG
(CHEMBL4103146)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4ccccc4c3)ncnc12 |r|
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440n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50252829
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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475n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237784
PNG
(CHEMBL4088081)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
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480n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237776
PNG
(CHEMBL4095809)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
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555n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237775
PNG
(CHEMBL4068467)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
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560n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237776
PNG
(CHEMBL4095809)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
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570n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237788
PNG
(CHEMBL4087331)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
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899n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237784
PNG
(CHEMBL4088081)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
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1.08E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237770
PNG
(CHEMBL4067750)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
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1.08E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237773
PNG
(CHEMBL4080205)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12 |r|
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1.09E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237783
PNG
(CHEMBL4094418)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
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1.09E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237785
PNG
(CHEMBL4065920)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
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1.12E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237773
PNG
(CHEMBL4080205)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12 |r|
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1.16E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237779
PNG
(CHEMBL4079448)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
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1.20E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL




J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
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