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BDBM50006261 CHEMBL3234698

SMILES: Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1

InChI Key: InChIKey=KGEIODBQUGJOLN-BYSQADMESA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50006261   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50006261
PNG
(CHEMBL3234698)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r|
Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1
KEGG

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PC cid
PC sid
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Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry


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))
BDBM50006261
PNG
(CHEMBL3234698)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r|
Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1
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Article
PubMed
27n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production


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 1


(Homo sapiens (Human))
BDBM50006261
PNG
(CHEMBL3234698)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r|
Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1
PDB

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n/an/an/an/a>2.70E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting


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))
BDBM50006261
PNG
(CHEMBL3234698)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r|
Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 0.470n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting


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