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BDBM50055445 CHEMBL3323691

SMILES: CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O

InChI Key: InChIKey=NWFLYJVSUKRJDH-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 = 50055445   
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))
BDBM50055445
PNG
(CHEMBL3323691)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:23:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
Show InChI InChI=1S/C33H53NO3/c1-2-3-4-11-14-29-16-17-30(22-31(29)35)37-18-13-10-8-6-5-7-9-12-15-32(36)34-33-23-26-19-27(24-33)21-28(20-26)25-33/h16-17,22,26-28,35H,2-15,18-21,23-25H2,1H3,(H,34,36)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
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PC cid
PC sid
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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))
BDBM50055445
PNG
(CHEMBL3323691)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:23:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
Show InChI InChI=1S/C33H53NO3/c1-2-3-4-11-14-29-16-17-30(22-31(29)35)37-18-13-10-8-6-5-7-9-12-15-32(36)34-33-23-26-19-27(24-33)21-28(20-26)25-33/h16-17,22,26-28,35H,2-15,18-21,23-25H2,1H3,(H,34,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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