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Compile Data Set for Download or QSAR

Found 498 hits with Last Name = 'chambers' and Initial = 'mg'   
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
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))		BDBM50178953
PNG
(CHEMBL3815166)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)
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 1.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay

Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))		BDBM50178952
PNG
(CHEMBL3814574)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)
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 2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay

Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586388
PNG
(CHEMBL5081557)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1
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 4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494512
PNG
(CHEMBL3092906)
Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)
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 4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494515
PNG
(CHEMBL3092893)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl
Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H
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 5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498074
PNG
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1
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 5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))		BDBM50178954
PNG
(CHEMBL3813779)
Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)
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 6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay

Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))		BDBM50178961
PNG
(CHEMBL2385268)
Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4|
Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
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 7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay

Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387887
PNG
(CHEMBL2057798)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3
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 8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387887
PNG
(CHEMBL2057798)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3
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 8.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494505
PNG
(CHEMBL3092891)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3
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 9.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50039497
PNG
(CHEMBL3139138)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3
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 11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50039497
PNG
(CHEMBL3139138)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3
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 13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387882
PNG
(CHEMBL2057800)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3
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 14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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 16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494505
PNG
(CHEMBL3092891)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3
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 16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494512
PNG
(CHEMBL3092906)
Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)
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 16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586394
PNG
(CHEMBL5078351)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586395
PNG
(CHEMBL5069696)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C(F)(F)F)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586396
PNG
(CHEMBL5079705)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM302860
PNG
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1
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 17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387882
PNG
(CHEMBL2057800)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3
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 19n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494514
PNG
(CHEMBL3092892)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494510
PNG
(CHEMBL3092887)
Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1
Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3
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 22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494513
PNG
(CHEMBL3092900)
Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3
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 23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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 24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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 24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586389
PNG
(CHEMBL5093568)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5Cl)CC4)c3s2)cc1
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 27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494504
PNG
(CHEMBL3092889)
Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1
Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3
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 32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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 37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat CB2 receptor

Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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 37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494520
PNG
(CHEMBL3092896)
Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(CCS(C)(=O)=O)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C20H25ClN6O2S/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21/h4-7H,8-13H2,1-3H3
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 38n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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 40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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 40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor

Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494511
PNG
(CHEMBL3092903)
Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3
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 40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494514
PNG
(CHEMBL3092892)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3
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 40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494515
PNG
(CHEMBL3092893)
Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl
Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H
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 41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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 48n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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 48n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
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 48n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494513
PNG
(CHEMBL3092900)
Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3
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 53n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494510
PNG
(CHEMBL3092887)
Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1
Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3
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 56n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50494504
PNG
(CHEMBL3092889)
Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1
Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3
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 60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50494511
PNG
(CHEMBL3092903)
Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3
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 63n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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 82n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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 84n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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 84n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins

J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))		BDBM50178955
PNG
(CHEMBL3813965)
Show SMILES CC(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H32N2O4S/c1-19(2)22-15-23(17-24(16-22)30(3,4)5)28-18-27(20-7-9-21(10-8-20)29(33)34)31-32(28)25-11-13-26(14-12-25)37(6,35)36/h7-19H,1-6H3,(H,33,34)
PDB
MMDB

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 87n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay

Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
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