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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 444472   
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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM444472
PNG
(US10662159, Example 63)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(CC(C3)Oc3cccc(c3)C(F)(F)F)C1)C2=O
Show InChI InChI=1S/C21H21F3N2O5/c1-19(2)14-15(19)17(28)26(16(14)27)31-18(29)25-9-20(10-25)7-13(8-20)30-12-5-3-4-11(6-12)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



MAKSCIENTIFIC, LLC

US Patent


Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...


US Patent US10662159 (2020)


BindingDB Entry DOI: 10.7270/Q2RB77NZ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM444472
PNG
(US10662159, Example 63)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(CC(C3)Oc3cccc(c3)C(F)(F)F)C1)C2=O
Show InChI InChI=1S/C21H21F3N2O5/c1-19(2)14-15(19)17(28)26(16(14)27)31-18(29)25-9-20(10-25)7-13(8-20)30-12-5-3-4-11(6-12)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



MAKSCIENTIFIC, LLC

US Patent


Assay Description
Rat/homo FAAH:Procedure was followed as described for hMGL, except that arachidonoyl-methyl coumarin (was used as fluorigenic substrate. Compounds we...


US Patent US10662159 (2020)


BindingDB Entry DOI: 10.7270/Q2RB77NZ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM444472
PNG
(US10662159, Example 63)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(CC(C3)Oc3cccc(c3)C(F)(F)F)C1)C2=O
Show InChI InChI=1S/C21H21F3N2O5/c1-19(2)14-15(19)17(28)26(16(14)27)31-18(29)25-9-20(10-25)7-13(8-20)30-12-5-3-4-11(6-12)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



MAKSCIENTIFIC, LLC

US Patent


Assay Description
hABHD6:Initial Fluorescent Inhibition Assay (3-Point)—In each well of a 96-well plate 8 μL of membrane fraction containing full-length hABHD6 (1...


US Patent US10662159 (2020)


BindingDB Entry DOI: 10.7270/Q2RB77NZ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM444472
PNG
(US10662159, Example 63)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(CC(C3)Oc3cccc(c3)C(F)(F)F)C1)C2=O
Show InChI InChI=1S/C21H21F3N2O5/c1-19(2)14-15(19)17(28)26(16(14)27)31-18(29)25-9-20(10-25)7-13(8-20)30-12-5-3-4-11(6-12)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



MAKSCIENTIFIC, LLC

US Patent


Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...


US Patent US10662159 (2020)


BindingDB Entry DOI: 10.7270/Q2RB77NZ
More data for this
Ligand-Target Pair