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SMILES: Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1

InChI Key: InChIKey=APSUBEFDUNXCQB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 444470   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM444470 (US10662159, Example 60) Show SMILES Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C15H13F7N2O3/c16-8-1-9(5-23-4-8)26-10-2-13(3-10)6-24(7-13)12(25)27-11(14(17,18)19)15(20,21)22/h1,4-5,10-11H,2-3,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/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)
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM444470 (US10662159, Example 60) Show SMILES Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C15H13F7N2O3/c16-8-1-9(5-23-4-8)26-10-2-13(3-10)6-24(7-13)12(25)27-11(14(17,18)19)15(20,21)22/h1,4-5,10-11H,2-3,6-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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)
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM444470 (US10662159, Example 60) Show SMILES Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C15H13F7N2O3/c16-8-1-9(5-23-4-8)26-10-2-13(3-10)6-24(7-13)12(25)27-11(14(17,18)19)15(20,21)22/h1,4-5,10-11H,2-3,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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)
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM444470 (US10662159, Example 60) Show SMILES Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C15H13F7N2O3/c16-8-1-9(5-23-4-8)26-10-2-13(3-10)6-24(7-13)12(25)27-11(14(17,18)19)15(20,21)22/h1,4-5,10-11H,2-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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)
					More data for this Ligand-Target Pair