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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM26144'   
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))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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100n/an/an/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat forebrain membrane which expresses Cannabinoid receptor 1 in the presence of PMSF


J Med Chem 45: 3709-20 (2002)


BindingDB Entry DOI: 10.7270/Q2WD3ZXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 cells


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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472n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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472n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Wistar rat brain incubated for 60 mins by radioactive filter binding assay


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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480n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/an/an/a 23n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor expressed in NG108-15 cells assessed as increase in intracellular free calcium concentrations


Bioorg Med Chem 15: 854-67 (2006)


Article DOI: 10.1016/j.bmc.2006.10.049
BindingDB Entry DOI: 10.7270/Q2ZK5G9W
More data for this
Ligand-Target Pair