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PubMed code 8642555

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


(Rattus norvegicus (rat))
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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PubMed
n/an/a 46n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/a 73n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain Cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 1.1 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/a 160n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050492
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1ccc(N=C=S)c2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(22-9-10-24(27-18-32)20-6-2-1-5-19(20)22)23-17-29(25-8-4-3-7-21(23)25)12-11-28-13-15-31-16-14-28/h1-10,17H,11-16H2
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n/an/a 440n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050490
PNG
((6-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2cc(ccc12)N=C=S
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-6-3-4-19-16-20(27-18-32)8-9-21(19)23)24-17-29(25-7-2-1-5-22(24)25)11-10-28-12-14-31-15-13-28/h1-9,16-17H,10-15H2
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n/an/a 530n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/a 690n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain Cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 1.1 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50050488
PNG
((3-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cc(cc2ccccc12)N=C=S
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-16-20(27-18-32)15-19-5-1-2-6-21(19)23)24-17-29(25-8-4-3-7-22(24)25)10-9-28-11-13-31-14-12-28/h1-8,15-17H,9-14H2
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n/an/a 920n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/an/an/a 275n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/an/an/a 370n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%