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Compile Data Set for Download or QSAR

Found 4 hits of kd for UniProtKB: P20272   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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n/an/an/a 29.1n/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB1 receptor after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 6856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.016
BindingDB Entry DOI: 10.7270/Q2WS8TN3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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n/an/an/a 6.5n/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes assessed as dissociation rate constant at 10 uM by liquid scintillation anal...


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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n/an/an/a 3.40n/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes assessed as dissociation constant by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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n/an/an/a 12.4n/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR-141716 from rat CB1 receptor


Bioorg Med Chem Lett 21: 6856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.016
BindingDB Entry DOI: 10.7270/Q2WS8TN3
More data for this
Ligand-Target Pair