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BDBM50062505 CHEMBL3397519

SMILES: COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1

InChI Key: InChIKey=ZVABXXHXRVMFOZ-DHFPXDALSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50062505   
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))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
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Article
PubMed
60n/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 1


(Homo sapiens (Human))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
PDB

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PC sid
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Article
PubMed
180n/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))
BDBM50062505
PNG
(CHEMBL3397519)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C22H26FNO2/c1-14-4-10-19(11-5-14)24-22(25)20-13-17(12-15(2)21(20)26-3)16-6-8-18(23)9-7-16/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,24,25)/t14-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 398n/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 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