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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50001855   
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))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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2.30n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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3.5n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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5.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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6.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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7.90n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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23n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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31n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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46n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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113n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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131n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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187n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408219
PNG
(CHEMBL4165369)
Show SMILES Fc1ccc(Cn2cc(Br)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H26BrFN2O2/c27-22-17-30(16-18-12-14-20(28)15-13-18)26(32)24(23(22)19-8-4-3-5-9-19)25(31)29-21-10-6-1-2-7-11-21/h3-5,8-9,12-15,17,21H,1-2,6-7,10-11,16H2,(H,29,31)
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437n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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606n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408223
PNG
(CHEMBL4159313)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1-c1ccccc1
Show InChI InChI=1S/C33H33FN2O3/c1-39-28-19-15-24(16-20-28)29-22-36(21-23-13-17-26(34)18-14-23)33(38)31(30(29)25-9-5-4-6-10-25)32(37)35-27-11-7-2-3-8-12-27/h4-6,9-10,13-20,22,27H,2-3,7-8,11-12,21H2,1H3,(H,35,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408221
PNG
(CHEMBL4167222)
Show SMILES Fc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C32H31FN2O2/c33-26-19-17-23(18-20-26)21-35-22-28(24-11-5-3-6-12-24)29(25-13-7-4-8-14-25)30(32(35)37)31(36)34-27-15-9-1-2-10-16-27/h3-8,11-14,17-20,22,27H,1-2,9-10,15-16,21H2,(H,34,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408223
PNG
(CHEMBL4159313)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1-c1ccccc1
Show InChI InChI=1S/C33H33FN2O3/c1-39-28-19-15-24(16-20-28)29-22-36(21-23-13-17-26(34)18-14-23)33(38)31(30(29)25-9-5-4-6-10-25)32(37)35-27-11-7-2-3-8-12-27/h4-6,9-10,13-20,22,27H,2-3,7-8,11-12,21H2,1H3,(H,35,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408221
PNG
(CHEMBL4167222)
Show SMILES Fc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C32H31FN2O2/c33-26-19-17-23(18-20-26)21-35-22-28(24-11-5-3-6-12-24)29(25-13-7-4-8-14-25)30(32(35)37)31(36)34-27-15-9-1-2-10-16-27/h3-8,11-14,17-20,22,27H,1-2,9-10,15-16,21H2,(H,34,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408219
PNG
(CHEMBL4165369)
Show SMILES Fc1ccc(Cn2cc(Br)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H26BrFN2O2/c27-22-17-30(16-18-12-14-20(28)15-13-18)26(32)24(23(22)19-8-4-3-5-9-19)25(31)29-21-10-6-1-2-7-11-21/h3-5,8-9,12-15,17,21H,1-2,6-7,10-11,16H2,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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n/an/a 70n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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n/an/a 530n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408219
PNG
(CHEMBL4165369)
Show SMILES Fc1ccc(Cn2cc(Br)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H26BrFN2O2/c27-22-17-30(16-18-12-14-20(28)15-13-18)26(32)24(23(22)19-8-4-3-5-9-19)25(31)29-21-10-6-1-2-7-11-21/h3-5,8-9,12-15,17,21H,1-2,6-7,10-11,16H2,(H,29,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addit...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addit...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408221
PNG
(CHEMBL4167222)
Show SMILES Fc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C32H31FN2O2/c33-26-19-17-23(18-20-26)21-35-22-28(24-11-5-3-6-12-24)29(25-13-7-4-8-14-25)30(32(35)37)31(36)34-27-15-9-1-2-10-16-27/h3-8,11-14,17-20,22,27H,1-2,9-10,15-16,21H2,(H,34,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addit...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addit...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408221
PNG
(CHEMBL4167222)
Show SMILES Fc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C32H31FN2O2/c33-26-19-17-23(18-20-26)21-35-22-28(24-11-5-3-6-12-24)29(25-13-7-4-8-14-25)30(32(35)37)31(36)34-27-15-9-1-2-10-16-27/h3-8,11-14,17-20,22,27H,1-2,9-10,15-16,21H2,(H,34,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408223
PNG
(CHEMBL4159313)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1-c1ccccc1
Show InChI InChI=1S/C33H33FN2O3/c1-39-28-19-15-24(16-20-28)29-22-36(21-23-13-17-26(34)18-14-23)33(38)31(30(29)25-9-5-4-6-10-25)32(37)35-27-11-7-2-3-8-12-27/h4-6,9-10,13-20,22,27H,2-3,7-8,11-12,21H2,1H3,(H,35,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.019
BindingDB Entry DOI: 10.7270/Q24F1T87
More data for this
Ligand-Target Pair
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