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BDBM50267756 CHEMBL488933::N-(3,4-dihydroxyphenethyl)-11-(3-hydroxy-5-(2-methyloctan-2-yl)phenoxy)undecanamide

SMILES: CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1

InChI Key: InChIKey=PKPJEIOWHFIXMG-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50267756   
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))
BDBM50267756
PNG
(CHEMBL488933 | N-(3,4-dihydroxyphenethyl)-11-(3-hy...)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C34H53NO5/c1-4-5-6-14-20-34(2,3)28-24-29(36)26-30(25-28)40-22-15-12-10-8-7-9-11-13-16-33(39)35-21-19-27-17-18-31(37)32(38)23-27/h17-18,23-26,36-38H,4-16,19-22H2,1-3H3,(H,35,39)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50267756
PNG
(CHEMBL488933 | N-(3,4-dihydroxyphenethyl)-11-(3-hy...)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C34H53NO5/c1-4-5-6-14-20-34(2,3)28-24-29(36)26-30(25-28)40-22-15-12-10-8-7-9-11-13-16-33(39)35-21-19-27-17-18-31(37)32(38)23-27/h17-18,23-26,36-38H,4-16,19-22H2,1-3H3,(H,35,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair