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BDBM50432896 CHEMBL2376842

SMILES: CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1

InChI Key: InChIKey=LLRSVFMJVIEWCG-UHFFFAOYSA-N

Data: 4 IC50  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 7 hits for monomerid = 50432896   
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


(Homo sapiens (Human))
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
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KEGG

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at GDH-tagged human TRPA1 receptor expressed in HEK293F cells assessed as increase in intracellular Ca2+ concentration by FLIPR assa...


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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96n/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
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric anal...


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))
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
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Article
PubMed
n/an/a 602n/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))
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric an...


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 A member 1


(Rattus norvegicus)
BDBM50432896
PNG
(CHEMBL2376842)
Show SMILES CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.54E+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