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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 60994   
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))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


J Nat Prod 74: 2313-7 (2011)


Article DOI: 10.1021/np200610t
BindingDB Entry DOI: 10.7270/Q21N81J3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the inhibition of [3H]WIN-55212-2 binding in rat cerebellum membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KD213J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


J Nat Prod 74: 2313-7 (2011)


Article DOI: 10.1021/np200610t
BindingDB Entry DOI: 10.7270/Q21N81J3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 160n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 218n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand


J Med Chem 34: 3310-6 (1991)


BindingDB Entry DOI: 10.7270/Q2154K8S
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 4.36E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 4.82E+4n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair