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Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'van veldhoven' and Initial = 'jp'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095768
PNG
(CHEMBL3590463)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCc1cccc(CCCCCCC)[n+]1C
Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1
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0.280n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240839
PNG
(CHEMBL4062581)
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0.380n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240839
PNG
(CHEMBL4062581)
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0.398n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240840
PNG
(CHEMBL4090548)
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0.631n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240840
PNG
(CHEMBL4090548)
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0.710n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50397723
PNG
(CHEMBL2181964)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240846
PNG
(CHEMBL4072249)
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1n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240846
PNG
(CHEMBL4072249)
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1n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50397723
PNG
(CHEMBL2181964)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240831
PNG
(CHEMBL4068128)
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1.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state.


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375504
PNG
(CHEMBL259704)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)
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1.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240836
PNG
(CHEMBL4059466)
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1.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240830
PNG
(CHEMBL4074587)
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1.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240838
PNG
(CHEMBL4098263)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240832
PNG
(CHEMBL4087363)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against HIV-1 protease


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240831
PNG
(CHEMBL4068128)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240836
PNG
(CHEMBL4059466)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240830
PNG
(CHEMBL4074587)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240838
PNG
(CHEMBL4098263)
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1.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state.


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240832
PNG
(CHEMBL4087363)
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1.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240841
PNG
(CHEMBL4082732)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240861
PNG
(CHEMBL4084043)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240861
PNG
(CHEMBL4084043)
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095652
PNG
(CHEMBL3590452)
Show SMILES CN(CCCCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O5/c1-20(14-12-16-4-6-17(7-5-16)21(23)24)13-2-3-15-27-19-10-8-18(9-11-19)22(25)26/h4-11H,2-3,12-15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240841
PNG
(CHEMBL4082732)
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095764
PNG
(CHEMBL3140084)
Show SMILES CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H15N3O/c1-10-4-3-5-11(2)13(10)17-14(18)16-12-6-8-15-9-7-12/h3-9H,1-2H3,(H2,15,16,17,18)
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1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375500
PNG
(CHEMBL259607)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
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1.80n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240859
PNG
(CHEMBL4068676)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240867
PNG
(CHEMBL4085275)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240842
PNG
(CHEMBL4093013)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240867
PNG
(CHEMBL4085275)
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2.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240842
PNG
(CHEMBL4093013)
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2.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375499
PNG
(CHEMBL259319)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240859
PNG
(CHEMBL4068676)
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2.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375497
PNG
(CHEMBL259075)
Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-24-19(15-10-5-3-6-11-15)17(14-22)20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26)
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2.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375495
PNG
(CHEMBL440416)
Show SMILES CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-14(2)20(26)25-21-23-18(15-9-5-3-6-10-15)17(13-22)19(24-21)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,23,24,25,26)
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2.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240854
PNG
(CHEMBL4102809)
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240853
PNG
(CHEMBL4084856)
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50116368
PNG
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50116368
PNG
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240860
PNG
(CHEMBL4102026)
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375505
PNG
(CHEMBL259736)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
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3.30n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095769
PNG
(CHEMBL3590465)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCc1cccc(CCCCCCCCC)[n+]1C
Show InChI InChI=1S/C24H44N.CHF3O3S/c1-4-6-8-10-12-14-16-19-23-21-18-22-24(25(23)3)20-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h18,21-22H,4-17,19-20H2,1-3H3;(H,5,6,7)/q+1;/p-1
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3.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240854
PNG
(CHEMBL4102809)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427971
PNG
(CHEMBL2325208)
Show SMILES CCCCCCCCc1cccc(CCCCCCCC)[n+]1C
Show InChI InChI=1S/C22H40N/c1-4-6-8-10-12-14-17-21-19-16-20-22(23(21)3)18-15-13-11-9-7-5-2/h16,19-20H,4-15,17-18H2,1-3H3/q+1
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240860
PNG
(CHEMBL4102026)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240853
PNG
(CHEMBL4084856)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240857
PNG
(CHEMBL4103734)
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4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095642
PNG
(CHEMBL3590446)
Show SMILES CCN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240857
PNG
(CHEMBL4103734)
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4.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
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