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BDBM50062496 CHEMBL3397446

SMILES: COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1

InChI Key: InChIKey=CDHDCBDWARTIEL-RHDGDCLCNA-N

Data: 2 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 2 hits for monomerid = 50062496   
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))
BDBM50062496
PNG
(CHEMBL3397446)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:23.25,wD:20.21,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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))
BDBM50062496
PNG
(CHEMBL3397446)
Show SMILES COc1ccc(cc1)-c1cc(C)c(OC)c(c1)C(=O)N[C@H]1CC[C@H](C)CC1 |r,wU:23.25,wD:20.21,(2.66,-2.78,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-4.01,5.08,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-5.34,1.54,;-4,.77,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,)|
Show InChI InChI=1/C23H29NO3/c1-15-5-9-19(10-6-15)24-23(25)21-14-18(13-16(2)22(21)27-4)17-7-11-20(26-3)12-8-17/h7-8,11-15,19H,5-6,9-10H2,1-4H3,(H,24,25)/t15-,19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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 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