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BDBM50432906 CHEMBL2376846

SMILES: COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1

InChI Key: InChIKey=RKZPDOBFKFYYCH-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 = 50432906   
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)
BDBM50432906
PNG
(CHEMBL2376846)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C19H19N5O3/c1-23(2)19(26)24-21-17(20-22-24)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)18(25)27-3/h4-10,12H,11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.12E+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))
BDBM50432906
PNG
(CHEMBL2376846)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C19H19N5O3/c1-23(2)19(26)24-21-17(20-22-24)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)18(25)27-3/h4-10,12H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 499n/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))
BDBM50432906
PNG
(CHEMBL2376846)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C19H19N5O3/c1-23(2)19(26)24-21-17(20-22-24)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)18(25)27-3/h4-10,12H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50432906
PNG
(CHEMBL2376846)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C19H19N5O3/c1-23(2)19(26)24-21-17(20-22-24)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)18(25)27-3/h4-10,12H,11H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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