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BDBM50381880 CHEMBL2022698

SMILES: Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1

InChI Key: InChIKey=CTOOWHZBGXSIAP-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 50381880   
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


(Homo sapiens (Human))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
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Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
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Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 74: 524-32 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.070
BindingDB Entry DOI: 10.7270/Q21V5HXR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
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PubMed
43n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 74: 524-32 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.070
BindingDB Entry DOI: 10.7270/Q21V5HXR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
PDB

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Article
PubMed
43n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
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Article
PubMed
n/an/an/an/a 1.59E+3n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat cerebellar membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 74: 524-32 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.070
BindingDB Entry DOI: 10.7270/Q21V5HXR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50381880
PNG
(CHEMBL2022698)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)
PDB

Reactome pathway
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Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 74: 524-32 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.070
BindingDB Entry DOI: 10.7270/Q21V5HXR
More data for this
Ligand-Target Pair