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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1' and Ligand = 'BDBM50454599'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50454599
PNG
(CHEMBL4216368)
Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|
Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50454599
PNG
(CHEMBL4216368)
Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|
Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain microsomes using OMP substrate by fluorescence based assay


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair