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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50056457'   
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


(Rattus norvegicus (rat))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
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53n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
BindingDB Entry DOI: 10.7270/Q2J96753
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
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53n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
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53.4n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)


BindingDB Entry DOI: 10.7270/Q2DB815G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
PDB

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598n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair