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BDBM50095869 CHEMBL3590638

SMILES: CCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12

InChI Key: InChIKey=PXJOPVBSHVHQCP-PZAAHSKBSA-N

Data: 3 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 3 hits for monomerid = 50095869   
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))
BDBM50095869
PNG
(CHEMBL3590638)
Show SMILES CCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12?,13?,14-,18+,19?/m0/s1
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PC sid
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n/an/an/an/a 36n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095869
PNG
(CHEMBL3590638)
Show SMILES CCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12?,13?,14-,18+,19?/m0/s1
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PC sid
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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))
BDBM50095869
PNG
(CHEMBL3590638)
Show SMILES CCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12?,13?,14-,18+,19?/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 36n/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