BDBM444474 US10662159, Example 67::US10662159, Example 68

SMILES: Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1

InChI Key: InChIKey=HAHQZQSTRNGLJE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 444474   

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))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Monoglyceride lipase (Homo sapiens (Human))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB UniProtKB/SwissProt antibodypedia 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 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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	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
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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
Monoglyceride lipase (Homo sapiens (Human))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	PDB UniProtKB/SwissProt antibodypedia 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 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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM444474 (US10662159, Example 67 | US10662159, Example 68) Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)| Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2	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