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BDBM50442946 CHEMBL3087191

SMILES: COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1

InChI Key: InChIKey=VIOUIMQQZZCOFQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50442946   
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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL overexpressed in HEK cells using 2-AG as substrate preincubated for 10 mins before substrate addition measured a...


J Med Chem 56: 8484-96 (2013)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL overexpressed in HEK cells using 2-AG as substrate preincubated for 10 mins before substrate addition measured a...


J Med Chem 56: 8484-96 (2013)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL2H3 cells assessed as blockade of [3H]-anandamide uptake incubated for 15 mins prior to [3H]-anandamide addition measure...


J Med Chem 56: 8484-96 (2013)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair