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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50047960   
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


(Homo sapiens (Human))		BDBM50198685
PNG
(CHEMBL3930886)
Show SMILES Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2)C(=O)NC2(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C29H24Cl2N4O/c30-21-9-7-19(8-10-21)18-20-4-3-5-24-26(34-35(27(20)24)23-13-11-22(31)12-14-23)28(36)33-29(15-16-29)25-6-1-2-17-32-25/h1-2,6-14,17-18H,3-5,15-16H2,(H,33,36)/b20-18+
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n/an/an/an/a 7n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198718
PNG
(CHEMBL3941829)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C29H23Cl2F3N4OS/c30-21-16-18(29(32,33)34)8-10-22(21)38-26-17(15-19-9-11-24(31)40-19)5-1-2-6-20(26)25(37-38)27(39)36-28(12-13-28)23-7-3-4-14-35-23/h3-4,7-11,14-16H,1-2,5-6,12-13H2,(H,36,39)/b17-15+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198687
PNG
(CHEMBL3959009)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C29H26ClFN4O/c1-19(26-8-4-5-17-32-26)33-29(36)27-25-7-3-2-6-21(18-20-9-13-23(31)14-10-20)28(25)35(34-27)24-15-11-22(30)12-16-24/h4-5,8-19H,2-3,6-7H2,1H3,(H,33,36)/b21-18+/t19-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198688
PNG
(CHEMBL3929137)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C32H30Cl2FN5O/c33-23-10-13-28(27(34)20-23)40-31-22(19-21-8-11-24(35)12-9-21)5-1-2-6-26(31)30(38-40)32(41)37-25-14-17-39(18-15-25)29-7-3-4-16-36-29/h3-4,7-13,16,19-20,25H,1-2,5-6,14-15,17-18H2,(H,37,41)/b22-19+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198689
PNG
(CHEMBL3938215)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl2F3N4OS/c1-16(22-8-4-5-13-34-22)35-27(38)25-20-7-3-2-6-17(14-19-10-12-24(30)39-19)26(20)37(36-25)23-11-9-18(15-21(23)29)28(31,32)33/h4-5,8-16H,2-3,6-7H2,1H3,(H,35,38)/b17-14+/t16-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198690
PNG
(CHEMBL3977840)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl3N4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-10-20(29)11-9-18)27(22)35(34-26)25-13-12-21(30)16-23(25)31/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
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n/an/an/an/a 854n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198691
PNG
(CHEMBL3923909)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)c(Cl)c2)C(=O)NC2(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C30H25Cl2FN4O/c31-24-13-12-22(18-25(24)32)37-28-20(17-19-8-10-21(33)11-9-19)5-1-2-6-23(28)27(36-37)29(38)35-30(14-15-30)26-7-3-4-16-34-26/h3-4,7-13,16-18H,1-2,5-6,14-15H2,(H,35,38)/b20-17+
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n/an/an/an/a 807n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198686
PNG
(CHEMBL3955683)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C26H21Cl3N4OS/c1-15(22-7-2-3-12-30-22)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)17-8-10-20(27)21(28)14-17/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198692
PNG
(CHEMBL3932852)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C30H25Cl2F3N4O/c1-18(26-8-4-5-15-36-26)37-29(40)27-23-7-3-2-6-20(16-19-9-11-21(12-10-19)30(33,34)35)28(23)39(38-27)22-13-14-24(31)25(32)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,37,40)/b20-16+/t18-/m1/s1
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n/an/an/an/a 56n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198689
PNG
(CHEMBL3938215)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl2F3N4OS/c1-16(22-8-4-5-13-34-22)35-27(38)25-20-7-3-2-6-17(14-19-10-12-24(30)39-19)26(20)37(36-25)23-11-9-18(15-21(23)29)28(31,32)33/h4-5,8-16H,2-3,6-7H2,1H3,(H,35,38)/b17-14+/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198693
PNG
(CHEMBL3913457)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r|
Show InChI InChI=1S/C27H21Cl2F3N4OS/c1-15(21-7-2-3-12-33-21)34-26(37)24-19-6-4-5-16(13-18-9-11-23(29)38-18)25(19)36(35-24)22-10-8-17(14-20(22)28)27(30,31)32/h2-3,7-15H,4-6H2,1H3,(H,34,37)/b16-13+/t15-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198694
PNG
(CHEMBL3914883)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H24Cl3N5O/c1-17(24-8-4-5-13-32-24)34-28(37)26-22-7-3-2-6-18(14-21-11-9-20(30)16-33-21)27(22)36(35-26)25-12-10-19(29)15-23(25)31/h4-5,8-17H,2-3,6-7H2,1H3,(H,34,37)/b18-14+/t17-/m1/s1
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n/an/an/an/a 560n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198695
PNG
(CHEMBL3957321)
Show SMILES Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C31H28Cl3N5O/c32-22-9-7-20(8-10-22)18-21-4-3-5-25-29(37-39(30(21)25)27-12-11-23(33)19-26(27)34)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
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n/an/an/an/a 34n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198696
PNG
(CHEMBL3958380)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl2FN4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-11-21(31)12-9-18)27(22)35(34-26)25-13-10-20(29)16-23(25)30/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198697
PNG
(CHEMBL3966803)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C27H23Cl2N5O/c1-17(24-7-2-3-14-30-24)32-27(35)25-23-6-4-5-18(15-21-11-8-20(29)16-31-21)26(23)34(33-25)22-12-9-19(28)10-13-22/h2-3,7-17H,4-6H2,1H3,(H,32,35)/b18-15+/t17-/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198698
PNG
(CHEMBL3984304)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C26H21Cl3N4OS/c1-15(21-7-2-3-12-30-21)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)22-10-8-17(27)14-20(22)28/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198699
PNG
(CHEMBL3904447)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl3N4O/c1-18(25-8-4-5-15-33-25)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(30)12-10-19)28(23)36(35-27)26-14-13-22(31)17-24(26)32/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198700
PNG
(CHEMBL3975291)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl3N4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(30)12-10-19)28(23)36(35-27)22-13-14-24(31)25(32)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198701
PNG
(CHEMBL3928040)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl2FN4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(32)12-10-19)28(23)36(35-27)22-13-14-24(30)25(31)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198691
PNG
(CHEMBL3923909)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)c(Cl)c2)C(=O)NC2(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C30H25Cl2FN4O/c31-24-13-12-22(18-25(24)32)37-28-20(17-19-8-10-21(33)11-9-19)5-1-2-6-23(28)27(36-37)29(38)35-30(14-15-30)26-7-3-4-16-34-26/h3-4,7-13,16-18H,1-2,5-6,14-15H2,(H,35,38)/b20-17+
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n/an/an/an/a 13n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198687
PNG
(CHEMBL3959009)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C29H26ClFN4O/c1-19(26-8-4-5-17-32-26)33-29(36)27-25-7-3-2-6-21(18-20-9-13-23(31)14-10-20)28(25)35(34-27)24-15-11-22(30)12-16-24/h4-5,8-19H,2-3,6-7H2,1H3,(H,33,36)/b21-18+/t19-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198694
PNG
(CHEMBL3914883)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H24Cl3N5O/c1-17(24-8-4-5-13-32-24)34-28(37)26-22-7-3-2-6-18(14-21-11-9-20(30)16-33-21)27(22)36(35-26)25-12-10-19(29)15-23(25)31/h4-5,8-17H,2-3,6-7H2,1H3,(H,34,37)/b18-14+/t17-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198704
PNG
(CHEMBL3964744)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C27H23Cl3N4OS/c1-16(22-8-4-5-13-31-22)32-27(35)25-20-7-3-2-6-17(14-19-10-12-24(30)36-19)26(20)34(33-25)23-11-9-18(28)15-21(23)29/h4-5,8-16H,2-3,6-7H2,1H3,(H,32,35)/b17-14+/t16-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198716
PNG
(CHEMBL3986006)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C28H24Cl2N4O/c1-18(25-7-2-3-16-31-25)32-28(35)26-24-6-4-5-20(17-19-8-10-21(29)11-9-19)27(24)34(33-26)23-14-12-22(30)13-15-23/h2-3,7-18H,4-6H2,1H3,(H,32,35)/b20-17+/t18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198685
PNG
(CHEMBL3930886)
Show SMILES Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2)C(=O)NC2(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C29H24Cl2N4O/c30-21-9-7-19(8-10-21)18-20-4-3-5-24-26(34-35(27(20)24)23-13-11-22(31)12-14-23)28(36)33-29(15-16-29)25-6-1-2-17-32-25/h1-2,6-14,17-18H,3-5,15-16H2,(H,33,36)/b20-18+
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n/an/an/an/a 1.61E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198697
PNG
(CHEMBL3966803)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C27H23Cl2N5O/c1-17(24-7-2-3-14-30-24)32-27(35)25-23-6-4-5-18(15-21-11-8-20(29)16-31-21)26(23)34(33-25)22-12-9-19(28)10-13-22/h2-3,7-17H,4-6H2,1H3,(H,32,35)/b18-15+/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198698
PNG
(CHEMBL3984304)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C26H21Cl3N4OS/c1-15(21-7-2-3-12-30-21)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)22-10-8-17(27)14-20(22)28/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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n/an/an/an/a 3.82E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198699
PNG
(CHEMBL3904447)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl3N4O/c1-18(25-8-4-5-15-33-25)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(30)12-10-19)28(23)36(35-27)26-14-13-22(31)17-24(26)32/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a 743n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198700
PNG
(CHEMBL3975291)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl3N4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(30)12-10-19)28(23)36(35-27)22-13-14-24(31)25(32)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198717
PNG
(CHEMBL3956678)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C30H26Cl2FN3O/c1-19(21-7-3-2-4-8-21)34-30(37)28-25-10-6-5-9-22(17-20-11-14-24(33)15-12-20)29(25)36(35-28)27-16-13-23(31)18-26(27)32/h2-4,7-8,11-19H,5-6,9-10H2,1H3,(H,34,37)/b22-17+/t19-/m1/s1
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n/an/an/an/a 5.59E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198704
PNG
(CHEMBL3964744)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C27H23Cl3N4OS/c1-16(22-8-4-5-13-31-22)32-27(35)25-20-7-3-2-6-17(14-19-10-12-24(30)36-19)26(20)34(33-25)23-11-9-18(28)15-21(23)29/h4-5,8-16H,2-3,6-7H2,1H3,(H,32,35)/b17-14+/t16-/m1/s1
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n/an/an/an/a 9.41E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198718
PNG
(CHEMBL3941829)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C29H23Cl2F3N4OS/c30-21-16-18(29(32,33)34)8-10-22(21)38-26-17(15-19-9-11-24(31)40-19)5-1-2-6-20(26)25(37-38)27(39)36-28(12-13-28)23-7-3-4-14-35-23/h3-4,7-11,14-16H,1-2,5-6,12-13H2,(H,36,39)/b17-15+
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n/an/an/an/a 8n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198696
PNG
(CHEMBL3958380)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl2FN4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-11-21(31)12-9-18)27(22)35(34-26)25-13-10-20(29)16-23(25)30/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198692
PNG
(CHEMBL3932852)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C30H25Cl2F3N4O/c1-18(26-8-4-5-15-36-26)37-29(40)27-23-7-3-2-6-20(16-19-9-11-21(12-10-19)30(33,34)35)28(23)39(38-27)22-13-14-24(31)25(32)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,37,40)/b20-16+/t18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198716
PNG
(CHEMBL3986006)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C28H24Cl2N4O/c1-18(25-7-2-3-16-31-25)32-28(35)26-24-6-4-5-20(17-19-8-10-21(29)11-9-19)27(24)34(33-26)23-14-12-22(30)13-15-23/h2-3,7-18H,4-6H2,1H3,(H,32,35)/b20-17+/t18-/m1/s1
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n/an/an/an/a 127n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198717
PNG
(CHEMBL3956678)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C30H26Cl2FN3O/c1-19(21-7-3-2-4-8-21)34-30(37)28-25-10-6-5-9-22(17-20-11-14-24(33)15-12-20)29(25)36(35-28)27-16-13-23(31)18-26(27)32/h2-4,7-8,11-19H,5-6,9-10H2,1H3,(H,34,37)/b22-17+/t19-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198719
PNG
(CHEMBL3962373)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C28H21Cl2F3N4OS/c29-20-15-17(28(31,32)33)7-9-21(20)37-25-16(14-18-8-10-23(30)39-18)4-3-5-19(25)24(36-37)26(38)35-27(11-12-27)22-6-1-2-13-34-22/h1-2,6-10,13-15H,3-5,11-12H2,(H,35,38)/b16-14+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198690
PNG
(CHEMBL3977840)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H23Cl3N4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-10-20(29)11-9-18)27(22)35(34-26)25-13-12-21(30)16-23(25)31/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198720
PNG
(CHEMBL3895507)
Show SMILES Fc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
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n/an/an/an/a 12n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198719
PNG
(CHEMBL3962373)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C28H21Cl2F3N4OS/c29-20-15-17(28(31,32)33)7-9-21(20)37-25-16(14-18-8-10-23(30)39-18)4-3-5-19(25)24(36-37)26(38)35-27(11-12-27)22-6-1-2-13-34-22/h1-2,6-10,13-15H,3-5,11-12H2,(H,35,38)/b16-14+
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n/an/an/an/a 11n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198688
PNG
(CHEMBL3929137)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C32H30Cl2FN5O/c33-23-10-13-28(27(34)20-23)40-31-22(19-21-8-11-24(35)12-9-21)5-1-2-6-26(31)30(38-40)32(41)37-25-14-17-39(18-15-25)29-7-3-4-16-36-29/h3-4,7-13,16,19-20,25H,1-2,5-6,14-15,17-18H2,(H,37,41)/b22-19+
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n/an/an/an/a 28n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198695
PNG
(CHEMBL3957321)
Show SMILES Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C31H28Cl3N5O/c32-22-9-7-20(8-10-22)18-21-4-3-5-25-29(37-39(30(21)25)27-12-11-23(33)19-26(27)34)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198720
PNG
(CHEMBL3895507)
Show SMILES Fc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
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n/an/an/an/a>1.10E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198693
PNG
(CHEMBL3913457)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r|
Show InChI InChI=1S/C27H21Cl2F3N4OS/c1-15(21-7-2-3-12-33-21)34-26(37)24-19-6-4-5-16(13-18-9-11-23(29)38-18)25(19)36(35-24)22-10-8-17(14-20(22)28)27(30,31)32/h2-3,7-15H,4-6H2,1H3,(H,34,37)/b16-13+/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198701
PNG
(CHEMBL3928040)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl2FN4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(32)12-10-19)28(23)36(35-27)22-13-14-24(30)25(31)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198686
PNG
(CHEMBL3955683)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C26H21Cl3N4OS/c1-15(22-7-2-3-12-30-22)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)17-8-10-20(27)21(28)14-17/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair