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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'reynoso-moreno' and Initial = 'i'   
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))
BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
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


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556533
PNG
(CHEMBL4781952)
Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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3.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556533
PNG
(CHEMBL4781952)
Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556531
PNG
(CHEMBL4779298)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556534
PNG
(CHEMBL4760014)
Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556535
PNG
(CHEMBL4782654)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1
PDB

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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556534
PNG
(CHEMBL4760014)
Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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9.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556541
PNG
(CHEMBL4756103)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
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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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
PDB

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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556541
PNG
(CHEMBL4756103)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1
PDB

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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556531
PNG
(CHEMBL4779298)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
PDB

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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
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
PDB

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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

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


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
PDB

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49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
PDB

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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50577909
PNG
(CHEMBL4845760)
Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
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99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

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


(Homo sapiens (Human))
BDBM50556535
PNG
(CHEMBL4782654)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1
PDB

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176n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50577909
PNG
(CHEMBL4845760)
Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
PDB

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228n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556544
PNG
(CHEMBL4792271)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1-c1ccc(F)cc1)C(=O)NC1CCCCCC1
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531n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556543
PNG
(CHEMBL4753784)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)nc1C
PDB

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919n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50577908
PNG
(CHEMBL4862731)
Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
PDB

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2.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

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


(Homo sapiens (Human))
BDBM50556544
PNG
(CHEMBL4792271)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1-c1ccc(F)cc1)C(=O)NC1CCCCCC1
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50577908
PNG
(CHEMBL4862731)
Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
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4.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00513
BindingDB Entry DOI: 10.7270/Q2251P0M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556539
PNG
(CHEMBL4750323)
Show SMILES CO[C@@H]1O[C@H](CNC(=O)c2cc(Br)c(C)n(Cc3ccc(F)cc3)c2=O)[C@H](O)[C@H](O)[C@H]1O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556538
PNG
(CHEMBL4740330)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCNCC2)c(=O)n1Cc1ccc(F)cc1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556538
PNG
(CHEMBL4740330)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCNCC2)c(=O)n1Cc1ccc(F)cc1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556539
PNG
(CHEMBL4750323)
Show SMILES CO[C@@H]1O[C@H](CNC(=O)c2cc(Br)c(C)n(Cc3ccc(F)cc3)c2=O)[C@H](O)[C@H](O)[C@H]1O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556540
PNG
(CHEMBL4740428)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)c1cc(Br)c(C)n(Cc2ccc(F)cc2)c1=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50556543
PNG
(CHEMBL4753784)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)nc1C
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556540
PNG
(CHEMBL4740428)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)c1cc(Br)c(C)n(Cc2ccc(F)cc2)c1=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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n/an/a 530n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50556543
PNG
(CHEMBL4753784)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)nc1C
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n/an/a 530n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
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n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50556535
PNG
(CHEMBL4782654)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1
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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50556537
PNG
(CHEMBL4757488)
Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
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n/an/a 600n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50556533
PNG
(CHEMBL4781952)
Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50556540
PNG
(CHEMBL4740428)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)c1cc(Br)c(C)n(Cc2ccc(F)cc2)c1=O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50556541
PNG
(CHEMBL4756103)
Show SMILES Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50556542
PNG
(CHEMBL4780771)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50556543
PNG
(CHEMBL4753784)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)nc1C
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50556544
PNG
(CHEMBL4792271)
Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1-c1ccc(F)cc1)C(=O)NC1CCCCCC1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
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