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BDBM50062498 CHEMBL3397448

SMILES: COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1

InChI Key: InChIKey=JWPRLTRMNRVCLQ-UHFFFAOYSA-N

Data: 4 KI

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 = 50062498   
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))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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PC sid
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100n/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 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
BindingDB Entry DOI: 10.7270/Q270833D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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148n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
BindingDB Entry DOI: 10.7270/Q2DJ5HHP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
PDB

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656n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
BindingDB Entry DOI: 10.7270/Q2DJ5HHP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50062498
PNG
(CHEMBL3397448)
Show SMILES COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
870n/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 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
BindingDB Entry DOI: 10.7270/Q270833D
More data for this
Ligand-Target Pair