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BDBM50083674 CHEMBL3422944

SMILES: CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1

InChI Key: InChIKey=SBTIGFAQSZYTIC-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50083674   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50083674
PNG
(CHEMBL3422944)
Show SMILES CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O4/c1-2-32-24(30)22-16-23(29(28-22)20-13-11-18(26)12-14-20)17-7-6-10-21(15-17)33-25(31)27-19-8-4-3-5-9-19/h6-7,10-16,19H,2-5,8-9H2,1H3,(H,27,31)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate after 30 mins by fluorescence assay


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50083674
PNG
(CHEMBL3422944)
Show SMILES CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O4/c1-2-32-24(30)22-16-23(29(28-22)20-13-11-18(26)12-14-20)17-7-6-10-21(15-17)33-25(31)27-19-8-4-3-5-9-19/h6-7,10-16,19H,2-5,8-9H2,1H3,(H,27,31)
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MMDB

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KEGG

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PubMed
n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate after 30 mins


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50083674
PNG
(CHEMBL3422944)
Show SMILES CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O4/c1-2-32-24(30)22-16-23(29(28-22)20-13-11-18(26)12-14-20)17-7-6-10-21(15-17)33-25(31)27-19-8-4-3-5-9-19/h6-7,10-16,19H,2-5,8-9H2,1H3,(H,27,31)
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PubMed
n/an/a 18n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 60 mins followed by substrate addition b...


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50083674
PNG
(CHEMBL3422944)
Show SMILES CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O4/c1-2-32-24(30)22-16-23(29(28-22)20-13-11-18(26)12-14-20)17-7-6-10-21(15-17)33-25(31)27-19-8-4-3-5-9-19/h6-7,10-16,19H,2-5,8-9H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 30 mins followed by substrate addition b...


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50083674
PNG
(CHEMBL3422944)
Show SMILES CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O4/c1-2-32-24(30)22-16-23(29(28-22)20-13-11-18(26)12-14-20)17-7-6-10-21(15-17)33-25(31)27-19-8-4-3-5-9-19/h6-7,10-16,19H,2-5,8-9H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 0 min followed by substrate addition by ...


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair