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Compile Data Set for Download or QSAR

Found 720 hits with Last Name = 'sheppard' and Initial = 'rj'   
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

NCI pathway
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0.0100n/an/an/an/an/an/an/an/a



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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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KEGG

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



Leiden University

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



Leiden University

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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KEGG

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



Leiden University

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

NCI pathway
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0.100n/an/an/an/an/an/an/an/a



Leiden University

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

UniProtKB/SwissProt

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



Leiden University

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))
BDBM50243612
PNG
(CHEMBL4093165)
PDB

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

UniProtKB/SwissProt

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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))
BDBM50243644
PNG
(CHEMBL4066563)
PDB

NCI pathway
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UniChem
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0.316n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243611
PNG
(CHEMBL4085407)
PDB

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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

NCI pathway
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0.320n/an/an/an/an/an/an/an/a



Leiden University

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

NCI pathway
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KEGG

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



Leiden University

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))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

NCI pathway
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0.370n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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



Leiden University

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))
BDBM50243637
PNG
(CHEMBL4068853)
PDB

NCI pathway
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KEGG

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0.501n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50243612
PNG
(CHEMBL4093165)
PDB

NCI pathway
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KEGG

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0.501n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243611
PNG
(CHEMBL4085407)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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UniChem
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0.520n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243637
PNG
(CHEMBL4068853)
PDB

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0.600n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243547
PNG
(CHEMBL4076020)
PDB

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0.794n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243547
PNG
(CHEMBL4076020)
PDB

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1.30n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243546
PNG
(CHEMBL4072418)
PDB

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2.5n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243546
PNG
(CHEMBL4072418)
PDB

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3.30n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243560
PNG
(CHEMBL4102969)
PDB

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6.30n/an/an/an/an/an/an/an/a



Leiden University

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))
BDBM50243560
PNG
(CHEMBL4102969)
PDB

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6.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
PDB
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
PDB
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2B


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
PDB

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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
PDB

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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
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