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BDBM50095897 CHEMBL3590293

SMILES: CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(C)c12

InChI Key: InChIKey=NEYZNILTYLJDQR-RBFBXUKGSA-N

Data: 2 IC50

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 = 50095897   
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))
BDBM50095897
PNG
(CHEMBL3590293)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(C)c12
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 93n/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))
BDBM50095897
PNG
(CHEMBL3590293)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(OC)cc(C)c12
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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