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BDBM50432900 CHEMBL2376852

SMILES: CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1

InChI Key: InChIKey=TXOPGRNEWKXQBG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50432900   
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
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50432900
PNG
(CHEMBL2376852)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O2/c1-23(2)18(26)24-21-16(20-22-24)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)17(19)25/h3-9,11H,10H2,1-2H3,(H2,19,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.31E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ elevati...


Eur J Med Chem 63: 118-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.005
BindingDB Entry DOI: 10.7270/Q2K64KFB
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432900
PNG
(CHEMBL2376852)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O2/c1-23(2)18(26)24-21-16(20-22-24)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)17(19)25/h3-9,11H,10H2,1-2H3,(H2,19,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of MAGL (unknown origin) expressed in African green monkey COS7 cell cytosolic fraction assessed as [3H]2-AG hydrolysis to [3H]arachidonic...


Eur J Med Chem 63: 118-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.005
BindingDB Entry DOI: 10.7270/Q2K64KFB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50432900
PNG
(CHEMBL2376852)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O2/c1-23(2)18(26)24-21-16(20-22-24)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)17(19)25/h3-9,11H,10H2,1-2H3,(H2,19,25)
PDB
MMDB

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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.18E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ elevation incuba...


Eur J Med Chem 63: 118-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.005
BindingDB Entry DOI: 10.7270/Q2K64KFB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50432900
PNG
(CHEMBL2376852)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O2/c1-23(2)18(26)24-21-16(20-22-24)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)17(19)25/h3-9,11H,10H2,1-2H3,(H2,19,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as [14C]AEA hydrolysis to [14C]Ethanolamine after 30 mins by scintillation counting analysis


Eur J Med Chem 63: 118-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.005
BindingDB Entry DOI: 10.7270/Q2K64KFB
More data for this
Ligand-Target Pair