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Compile Data Set for Download or QSAR

Found 2637 hits with Last Name = 'ijzerman' and Initial = 'ap'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0270n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.0620n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243545
PNG
(CHEMBL4078689)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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0.100n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.110n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.120n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.130n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.140n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020178
PNG
(CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)
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0.150n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.180n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.190n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243561
PNG
(CHEMBL4086535)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243609
PNG
(CHEMBL4090706)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50156616
PNG
((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-13-31(9-8-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-5-2-10-33-19/h1-5,10-11,15,17H,6-9,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243612
PNG
(CHEMBL4093165)
PDB

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0.220n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243535
PNG
(CHEMBL4065097)
PDB

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0.251n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243594
PNG
(CHEMBL4082908)
PDB

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0.251n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243594
PNG
(CHEMBL4082908)
PDB

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0.270n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243535
PNG
(CHEMBL4065097)
PDB

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0.280n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
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 A1


(Homo sapiens (Human))
BDBM50186588
PNG
(8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...)
Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
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0.290n/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


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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0.300n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243609
PNG
(CHEMBL4090706)
PDB

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0.300n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243644
PNG
(CHEMBL4066563)
PDB

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0.310n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243611
PNG
(CHEMBL4085407)
PDB

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0.316n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243587
PNG
(CHEMBL4105382)
PDB

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0.316n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243644
PNG
(CHEMBL4066563)
PDB

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0.316n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243587
PNG
(CHEMBL4105382)
PDB

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0.320n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056040
PNG
(CHEMBL107141 | Cyclohexanecarbothioic acid {2-[4-(...)
Show SMILES COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1
Show InChI InChI=1S/C20H31N3OS/c1-24-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,25)
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0.320n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243561
PNG
(CHEMBL4086535)
PDB

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0.320n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369514
PNG
(CHEMBL605266)
Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C19H20ClIN6O4/c1-22-12(28)6-11-14(29)15(30)18(31-11)27-8-24-13-16(25-19(20)26-17(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11,14-15,18,29-30H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,14+,15+,18?/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 42: 1393-400 (1999)


Article DOI: 10.1021/jm981090+
BindingDB Entry DOI: 10.7270/Q2SB46DK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243545
PNG
(CHEMBL4078689)
PDB

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0.340n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065757
PNG
((S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m0/s1
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0.362n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

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0.370n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
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



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University , 2300 RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

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0.398n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
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



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University , 2300 RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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MMDB

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0.400n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50210813
PNG
(CHEMBL3916315)
Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
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0.460n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
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