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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50068669   
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 2


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.10n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor


J Med Chem 59: 7525-43 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00516
BindingDB Entry DOI: 10.7270/Q2862KX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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9.40n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
PDB

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9.44n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair