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BDBM50095857 CHEMBL3590617

SMILES: CCCCN1C(=O)\C(=C\NCc2ccc(F)cc2)C(=O)c2cccc(C)c12

InChI Key: InChIKey=ZIHYGOOJSWDFKE-USYJBCIFSA-N

Data: 2 EC50

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 = 50095857   
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))
BDBM50095857
PNG
(CHEMBL3590617)
Show SMILES CCCCN1C(=O)\C(=C\NCc2ccc(F)cc2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H26N6O4/c19-15-11-16(21-8-20-15)24(9-22-11)18-13(26)12(25)14(28-18)17(27)23-10-6-4-2-1-3-5-7-10/h8-10,12-14,18,25-26H,1-7H2,(H,23,27)(H2,19,20,21)/t12?,13?,14-,18+/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


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 2


(Homo sapiens (Human))
BDBM50095857
PNG
(CHEMBL3590617)
Show SMILES CCCCN1C(=O)\C(=C\NCc2ccc(F)cc2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H26N6O4/c19-15-11-16(21-8-20-15)24(9-22-11)18-13(26)12(25)14(28-18)17(27)23-10-6-4-2-1-3-5-7-10/h8-10,12-14,18,25-26H,1-7H2,(H,23,27)(H2,19,20,21)/t12?,13?,14-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


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