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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50033605   
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))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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PubMed
0.0600n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50171296
PNG
(2-[((11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO
Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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25n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348142
PNG
(CHEMBL1800732)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCC#C
Show InChI InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-32-28(26-30)27-33-29(31)24-22-6-4-2/h2,9-10,12-13,15-16,18-19,28,30H,3,5-8,11,14,17,20-27H2,1H3/b10-9-,13-12-,16-15-,19-18-
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84.7n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348142
PNG
(CHEMBL1800732)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCC#C
Show InChI InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-32-28(26-30)27-33-29(31)24-22-6-4-2/h2,9-10,12-13,15-16,18-19,28,30H,3,5-8,11,14,17,20-27H2,1H3/b10-9-,13-12-,16-15-,19-18-
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84.9n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348141
PNG
(CHEMBL1800731)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H65N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-47-33(30-43)31-48-37(45)27-20-19-23-28-40-36(44)26-22-21-25-35-38-34(32-49-35)41-39(46)42-38/h6-7,9-10,12-13,15-16,33-35,38,43H,2-5,8,11,14,17-32H2,1H3,(H,40,44)(H2,41,42,46)/b7-6-,10-9-,13-12-,16-15-/t33?,34-,35-,38-/m0/s1
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221n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348143
PNG
(CHEMBL1800082)
Show SMILES Cc1cc(ccc1Cl)-c1cc(nn1Cc1ccc(CNCCCCCCN)cc1)C(=O)NC1C2(C)CCC(C2)C1(C)C
Show InChI InChI=1S/C35H48ClN5O/c1-24-19-27(13-14-29(24)36)31-20-30(32(42)39-33-34(2,3)28-15-16-35(33,4)21-28)40-41(31)23-26-11-9-25(10-12-26)22-38-18-8-6-5-7-17-37/h9-14,19-20,28,33,38H,5-8,15-18,21-23,37H2,1-4H3,(H,39,42)
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260n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348140
PNG
(CHEMBL1800730)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H63N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-37(46)49-32(29-43)30-48-36(45)26-20-18-23-28-40-35(44)25-22-21-24-34-38-33(31-50-34)41-39(47)42-38/h6-7,9-10,12-13,15-16,32-34,38,43H,2-5,8,11,14,17-31H2,1H3,(H,40,44)(H2,41,42,47)/b7-6-,10-9-,13-12-,16-15-/t32?,33-,34-,38-/m0/s1
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379n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348141
PNG
(CHEMBL1800731)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H65N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-47-33(30-43)31-48-37(45)27-20-19-23-28-40-36(44)26-22-21-25-35-38-34(32-49-35)41-39(46)42-38/h6-7,9-10,12-13,15-16,33-35,38,43H,2-5,8,11,14,17-32H2,1H3,(H,40,44)(H2,41,42,46)/b7-6-,10-9-,13-12-,16-15-/t33?,34-,35-,38-/m0/s1
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450n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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480n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50171296
PNG
(2-[((11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO
Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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1.30E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348135
PNG
(CHEMBL1800181)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
Show InChI InChI=1S/C38H60N4O5S/c43-34(23-19-18-22-33-37-32(30-48-33)41-38(46)42-37)39-28-20-15-17-25-36(45)47-29-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-35(44)40-31-26-27-31/h2-5,8-11,31-33,37H,1,6-7,12-30H2,(H,39,43)(H,40,44)(H2,41,42,46)/b4-2-,5-3-,10-8-,11-9-/t32-,33-,37-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348136
PNG
(CHEMBL1800182)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C38H62N4O6S/c1-31(29-43)40-35(45)25-17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-22-28-48-36(46)26-18-16-21-27-39-34(44)24-20-19-23-33-37-32(30-49-33)41-38(47)42-37/h3-6,9-12,31-33,37,43H,2,7-8,13-30H2,1H3,(H,39,44)(H,40,45)(H2,41,42,47)/b5-3-,6-4-,11-9-,12-10-/t31-,32+,33+,37+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348137
PNG
(CHEMBL1800727)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H64N4O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-36(45)41-32(2)30-48-37(46)28-21-19-24-29-40-35(44)26-23-22-25-34-38-33(31-49-34)42-39(47)43-38/h7-8,10-11,13-14,16-17,32-34,38H,3-6,9,12,15,18-31H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,47)/b8-7-,11-10-,14-13-,17-16-/t32-,33+,34+,38+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348139
PNG
(CHEMBL1800729)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCC#C
Show InChI InChI=1S/C45H58N2O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-42(48)46-37(3)36-52-45(51)41(47-43(49)29-23-7-5-2)35-38-31-33-40(34-32-38)44(50)39-27-24-22-25-28-39/h2,10-11,13-14,16-17,19-20,22,24-25,27-28,31-34,37,41H,4,6-9,12,15,18,21,23,26,29-30,35-36H2,1,3H3,(H,46,48)(H,47,49)/b11-10-,14-13-,17-16-,20-19-/t37-,41+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348138
PNG
(CHEMBL1800728)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C
Show InChI InChI=1S/C29H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-28(31)30-27(3)26-33-29(32)25-22-7-5-2/h2,10-11,13-14,16-17,19-20,27H,4,6-9,12,15,18,21-26H2,1,3H3,(H,30,31)/b11-10-,14-13-,17-16-,20-19-/t27-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50348139
PNG
(CHEMBL1800729)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCC#C
Show InChI InChI=1S/C45H58N2O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-42(48)46-37(3)36-52-45(51)41(47-43(49)29-23-7-5-2)35-38-31-33-40(34-32-38)44(50)39-27-24-22-25-28-39/h2,10-11,13-14,16-17,19-20,22,24-25,27-28,31-34,37,41H,4,6-9,12,15,18,21,23,26,29-30,35-36H2,1,3H3,(H,46,48)(H,47,49)/b11-10-,14-13-,17-16-,20-19-/t37-,41+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348138
PNG
(CHEMBL1800728)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C
Show InChI InChI=1S/C29H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-28(31)30-27(3)26-33-29(32)25-22-7-5-2/h2,10-11,13-14,16-17,19-20,27H,4,6-9,12,15,18,21-26H2,1,3H3,(H,30,31)/b11-10-,14-13-,17-16-,20-19-/t27-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348137
PNG
(CHEMBL1800727)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H64N4O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-36(45)41-32(2)30-48-37(46)28-21-19-24-29-40-35(44)26-23-22-25-34-38-33(31-49-34)42-39(47)43-38/h7-8,10-11,13-14,16-17,32-34,38H,3-6,9,12,15,18-31H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,47)/b8-7-,11-10-,14-13-,17-16-/t32-,33+,34+,38+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348136
PNG
(CHEMBL1800182)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C38H62N4O6S/c1-31(29-43)40-35(45)25-17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-22-28-48-36(46)26-18-16-21-27-39-34(44)24-20-19-23-33-37-32(30-49-33)41-38(47)42-37/h3-6,9-12,31-33,37,43H,2,7-8,13-30H2,1H3,(H,39,44)(H,40,45)(H2,41,42,47)/b5-3-,6-4-,11-9-,12-10-/t31-,32+,33+,37+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348135
PNG
(CHEMBL1800181)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
Show InChI InChI=1S/C38H60N4O5S/c43-34(23-19-18-22-33-37-32(30-48-33)41-38(46)42-37)39-28-20-15-17-25-36(45)47-29-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-35(44)40-31-26-27-31/h2-5,8-11,31-33,37H,1,6-7,12-30H2,(H,39,43)(H,40,44)(H2,41,42,46)/b4-2-,5-3-,10-8-,11-9-/t32-,33-,37-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348140
PNG
(CHEMBL1800730)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C39H63N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-37(46)49-32(29-43)30-48-36(45)26-20-18-23-28-40-35(44)25-22-21-24-34-38-33(31-50-34)41-39(47)42-38/h6-7,9-10,12-13,15-16,32-34,38,43H,2-5,8,11,14,17-31H2,1H3,(H,40,44)(H2,41,42,47)/b7-6-,10-9-,13-12-,16-15-/t32?,33-,34-,38-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair