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Compile Data Set for Download or QSAR

Found 19 hits of ec50 data for polymerid = 49000332   
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


(MOUSE)		BDBM50429828
PNG
(CHEMBL2338184)
Show SMILES FC(F)(F)c1ccc2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)c2c1
Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)16-2-1-15-3-4-24(17(15)8-16)18(25)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
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n/an/an/an/a 2.90n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429832
PNG
(CHEMBL2338179)
Show SMILES O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
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n/an/an/an/a 7n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429830
PNG
(CHEMBL2338182)
Show SMILES Cc1cccc2N(CCc12)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-18-17(13)5-6-21(18)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
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n/an/an/an/a 7n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429829
PNG
(CHEMBL2338183)
Show SMILES Fc1ccc2N(CCc2c1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
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n/an/an/an/a 9n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429826
PNG
(CHEMBL2338186)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
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n/an/an/an/a 19n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429835
PNG
(CHEMBL2338176)
Show SMILES COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12
Show InChI InChI=1S/C23H31NO3/c1-26-8-9-27-21-6-7-24(20-5-3-2-4-19(20)21)22(25)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18,21H,6-15H2,1H3
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n/an/an/an/a 20n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429824
PNG
(CHEMBL2338188)
Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc12
Show InChI InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2
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n/an/an/an/a 20n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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n/an/an/an/a 22n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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n/an/an/an/a 23n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429833
PNG
(CHEMBL2338178)
Show SMILES O=C(N1CCc2ccccc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2
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n/an/an/an/a 26n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429836
PNG
(CHEMBL2338175)
Show SMILES CCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12
Show InChI InChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3
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n/an/an/an/a 28n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429831
PNG
(CHEMBL2338181)
Show SMILES CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12
Show InChI InChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429827
PNG
(CHEMBL2338185)
Show SMILES Cc1cccc2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)c12
Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
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n/an/an/an/a 50n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50402865
PNG
(CHEMBL2205621)
Show SMILES Clc1ccccc1C(=O)Nc1sc2CCCCc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C20H21ClN2O3S/c21-15-7-3-1-5-13(15)18(24)22-19-17(14-6-2-4-8-16(14)27-19)20(25)23-9-11-26-12-10-23/h1,3,5,7H,2,4,6,8-12H2,(H,22,24)
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n/an/an/an/a 50n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429825
PNG
(CHEMBL2338187)
Show SMILES O=C(N1CCc2ccccc12)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C18H21NO/c20-17(19-6-5-14-3-1-2-4-16(14)19)18-10-12-7-13(11-18)9-15(18)8-12/h1-4,12-13,15H,5-11H2
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n/an/an/an/a 51n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50207795
PNG
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)
Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
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n/an/an/an/a 126n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429838
PNG
(CHEMBL2338189)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C19H23NO2/c21-17(20-6-5-15-3-1-2-4-16(15)20)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h1-4,13-14,22H,5-12H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50429845
PNG
(CHEMBL2338180)
Show SMILES O=C(N1CCCCc2ccccc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H27NO/c23-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-8-4-3-6-18-5-1-2-7-19(18)22/h1-2,5,7,15-17H,3-4,6,8-14H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay

Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)		BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES CC(C)(CO)NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccc(F)cc1F
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 2.87E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method

Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair