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SMILES: CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(Cl)cc12

InChI Key: InChIKey=NGIPWYMHJOWWDB-UUMXSHEDSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095896   
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))
BDBM50095896
PNG
(CHEMBL3590292)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H28N6O6/c1-2-22-18(29)15-13(27)14(28)19(32-15)26-8-23-12-16(21)24-11(25-17(12)26)7-9-3-5-10(6-4-9)20(30)31/h8-10,13-15,19,27-28H,2-7H2,1H3,(H,22,29)(H,30,31)(H2,21,24,25)/t9?,10?,13-,14+,15+,19?/m1/s1
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PC cid
PC sid
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Similars

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



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095896
PNG
(CHEMBL3590292)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H28N6O6/c1-2-22-18(29)15-13(27)14(28)19(32-15)26-8-23-12-16(21)24-11(25-17(12)26)7-9-3-5-10(6-4-9)20(30)31/h8-10,13-15,19,27-28H,2-7H2,1H3,(H,22,29)(H,30,31)(H2,21,24,25)/t9?,10?,13-,14+,15+,19?/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair