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BDBM50055448 CHEMBL3323688

SMILES: CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1

InChI Key: InChIKey=HFYNLAGRWVGBJE-UHFFFAOYSA-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 = 50055448   
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 1


(Homo sapiens (Human))
BDBM50055448
PNG
(CHEMBL3323688)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:25:26:29.28.33:31,THB:27:28:31:35.26.34,27:26:29.28.33:31,25:26:29:33.32.31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C33H53NO3/c1-4-5-6-11-14-32(2,3)28-19-29(35)21-30(20-28)37-15-12-9-7-8-10-13-31(36)34-33-22-25-16-26(23-33)18-27(17-25)24-33/h19-21,25-27,35H,4-18,22-24H2,1-3H3,(H,34,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50055448
PNG
(CHEMBL3323688)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:25:26:29.28.33:31,THB:27:28:31:35.26.34,27:26:29.28.33:31,25:26:29:33.32.31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C33H53NO3/c1-4-5-6-11-14-32(2,3)28-19-29(35)21-30(20-28)37-15-12-9-7-8-10-13-31(36)34-33-22-25-16-26(23-33)18-27(17-25)24-33/h19-21,25-27,35H,4-18,22-24H2,1-3H3,(H,34,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair