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Articleid 50029639

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212379
PNG
(CHEMBL125462)
Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C23H25NO2/c1-25-21-8-6-18(7-9-21)16-20-17-19(22-4-2-3-5-23(20)22)10-11-24-12-14-26-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-16+
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212395
PNG
(CHEMBL123515)
Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C27H27NO2/c1-29-27-11-10-20(24-7-4-5-9-26(24)27)18-22-19-21(23-6-2-3-8-25(22)23)12-13-28-14-16-30-17-15-28/h2-11,18-19H,12-17H2,1H3/b22-18+
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)		BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against prostaglandin synthetase in mouse brain microsomes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		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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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)		BDBM50286425
PNG
(4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}...)
Show SMILES C(CC1=C\C(=C/c2ccccc2)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C22H23NO/c1-2-6-18(7-3-1)16-20-17-19(21-8-4-5-9-22(20)21)10-11-23-12-14-24-15-13-23/h1-9,16-17H,10-15H2/b20-16+
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against prostaglandin synthetase in mouse brain microsomes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212355
PNG
(CHEMBL125199)
Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)cc1OC |t:8|
Show InChI InChI=1S/C24H27NO3/c1-26-23-8-7-18(16-24(23)27-2)15-20-17-19(21-5-3-4-6-22(20)21)9-10-25-11-13-28-14-12-25/h3-8,15-17H,9-14H2,1-2H3/b20-15+
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n/an/a 2.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212374
PNG
(CHEMBL129158)
Show SMILES COc1ccc(\C=C2/C(C)=C(CCN3CCOCC3)c3ccccc23)cc1 |t:9|
Show InChI InChI=1S/C24H27NO2/c1-18-21(11-12-25-13-15-27-16-14-25)22-5-3-4-6-23(22)24(18)17-19-7-9-20(26-2)10-8-19/h3-10,17H,11-16H2,1-2H3/b24-17+
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212356
PNG
(CHEMBL421470)
Show SMILES CSc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C23H25NOS/c1-26-21-8-6-18(7-9-21)16-20-17-19(22-4-2-3-5-23(20)22)10-11-24-12-14-25-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-16+
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n/an/a 9.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50212372
PNG
(CHEMBL340686)
Show SMILES Oc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C26H25NO2/c28-26-10-9-19(23-6-3-4-8-25(23)26)17-21-18-20(22-5-1-2-7-24(21)22)11-12-27-13-15-29-16-14-27/h1-10,17-18,28H,11-16H2/b21-17+
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n/an/a 9.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes

Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%