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PubMed code 25599952

Compile data set for download or QSAR
Found 20 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 2


(Homo sapiens (Human))
BDBM50072352
PNG
(CHEMBL3409318)
Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29)
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0.700n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072350
PNG
(CHEMBL3409320)
Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:14:15:12.13.19:20,19:13:21:17.20.16,19:17:21:12.13.14|
Show InChI InChI=1/C25H32N2O5/c1-3-32-8-7-27-14-19(22(28)18-5-4-6-20(31-2)21(18)27)23(29)26-24-10-16-9-17(11-24)13-25(30,12-16)15-24/h4-6,14,16-17,30H,3,7-13,15H2,1-2H3,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350151
PNG
(CHEMBL1814458)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
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1.70n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072357
PNG
(CHEMBL3409149)
Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:17:12:19:16.18.15,17:16:19:11.12.13,THB:15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C25H32N2O3/c1-3-4-8-27-15-20(23(28)19-6-5-7-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h5-7,15-18H,3-4,8-14H2,1-2H3,(H,26,29)
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3.30n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072349
PNG
(CHEMBL3409322)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(7-8-26-9-11-30-12-10-26)20-14-17(29-2)4-6-22(20)27(15)23(28)19-5-3-16(24)13-21(19)25/h3-6,13-14H,7-12H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072356
PNG
(CHEMBL3409150)
Show SMILES CCCCn1cc(C(=O)NC(C)(C)C)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C19H26N2O3/c1-6-7-11-21-12-14(18(23)20-19(2,3)4)17(22)13-9-8-10-15(24-5)16(13)21/h8-10,12H,6-7,11H2,1-5H3,(H,20,23)
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8.20n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072355
PNG
(CHEMBL3409151)
Show SMILES CCCCn1cc(C(=O)NC2CCCC2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C20H26N2O3/c1-3-4-12-22-13-16(20(24)21-14-8-5-6-9-14)19(23)15-10-7-11-17(25-2)18(15)22/h7,10-11,13-14H,3-6,8-9,12H2,1-2H3,(H,21,24)
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20n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072354
PNG
(CHEMBL3409152)
Show SMILES CCCCn1cc(C(=O)NCC2CC2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C19H24N2O3/c1-3-4-10-21-12-15(19(23)20-11-13-8-9-13)18(22)14-6-5-7-16(24-2)17(14)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,20,23)
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79n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072351
PNG
(CHEMBL3409319)
Show SMILES CCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
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360n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072353
PNG
(CHEMBL3409317)
Show SMILES COc1cccc2c1n(CCCF)cc(C(=O)NC(C)(C)C)c2=O
Show InChI InChI=1S/C18H23FN2O3/c1-18(2,3)20-17(23)13-11-21(10-6-9-19)15-12(16(13)22)7-5-8-14(15)24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,23)
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750n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072349
PNG
(CHEMBL3409322)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(7-8-26-9-11-30-12-10-26)20-14-17(29-2)4-6-22(20)27(15)23(28)19-5-3-16(24)13-21(19)25/h3-6,13-14H,7-12H2,1-2H3
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4.77E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072351
PNG
(CHEMBL3409319)
Show SMILES CCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072350
PNG
(CHEMBL3409320)
Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:14:15:12.13.19:20,19:13:21:17.20.16,19:17:21:12.13.14|
Show InChI InChI=1/C25H32N2O5/c1-3-32-8-7-27-14-19(22(28)18-5-4-6-20(31-2)21(18)27)23(29)26-24-10-16-9-17(11-24)13-25(30,12-16)15-24/h4-6,14,16-17,30H,3,7-13,15H2,1-2H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072356
PNG
(CHEMBL3409150)
Show SMILES CCCCn1cc(C(=O)NC(C)(C)C)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C19H26N2O3/c1-6-7-11-21-12-14(18(23)20-19(2,3)4)17(22)13-9-8-10-15(24-5)16(13)21/h8-10,12H,6-7,11H2,1-5H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072355
PNG
(CHEMBL3409151)
Show SMILES CCCCn1cc(C(=O)NC2CCCC2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C20H26N2O3/c1-3-4-12-22-13-16(20(24)21-14-8-5-6-9-14)19(23)15-10-7-11-17(25-2)18(15)22/h7,10-11,13-14H,3-6,8-9,12H2,1-2H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072353
PNG
(CHEMBL3409317)
Show SMILES COc1cccc2c1n(CCCF)cc(C(=O)NC(C)(C)C)c2=O
Show InChI InChI=1S/C18H23FN2O3/c1-18(2,3)20-17(23)13-11-21(10-6-9-19)15-12(16(13)22)7-5-8-14(15)24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072357
PNG
(CHEMBL3409149)
Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:17:12:19:16.18.15,17:16:19:11.12.13,THB:15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C25H32N2O3/c1-3-4-8-27-15-20(23(28)19-6-5-7-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h5-7,15-18H,3-4,8-14H2,1-2H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072352
PNG
(CHEMBL3409318)
Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072354
PNG
(CHEMBL3409152)
Show SMILES CCCCn1cc(C(=O)NCC2CC2)c(=O)c2cccc(OC)c12
Show InChI InChI=1S/C19H24N2O3/c1-3-4-10-21-12-15(19(23)20-11-13-8-9-13)18(22)14-6-5-7-16(24-2)17(14)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350151
PNG
(CHEMBL1814458)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 554-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.028
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%