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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50399157'   
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))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL




Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]HU-243 from CB2 receptor (unknown origin) transfected in human COS7 cells


Bioorg Med Chem 23: 1377-85 (2015)


Article DOI: 10.1016/j.bmc.2015.01.059
BindingDB Entry DOI: 10.7270/Q2Z60QRX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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23n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]HU-243 from human CB2 receptor


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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n/an/an/an/a 83.8n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 45 mins by T...


J Med Chem 55: 9973-87 (2012)


Article DOI: 10.1021/jm301212u
BindingDB Entry DOI: 10.7270/Q22808R5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as increase in forskolin-stimulated cAMP production after 45 mins by ...


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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n/an/an/an/a 84n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP production after 45 mins in pres...


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair