BDBM444473 US10662159, Example 64

SMILES: CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O

InChI Key: InChIKey=KFVQERFMGAYFQH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 444473   

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))	BDBM444473 (US10662159, Example 64) Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O Show InChI InChI=1S/C20H22FN3O5/c1-19(2)14-15(19)17(26)24(16(14)25)29-18(27)23-9-20(10-23)4-3-12(6-20)28-13-5-11(21)7-22-8-13/h5,7-8,12,14-15H,3-4,6,9-10H2,1-2H3	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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM444473 (US10662159, Example 64) Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O Show InChI InChI=1S/C20H22FN3O5/c1-19(2)14-15(19)17(26)24(16(14)25)29-18(27)23-9-20(10-23)4-3-12(6-20)28-13-5-11(21)7-22-8-13/h5,7-8,12,14-15H,3-4,6,9-10H2,1-2H3	PDB MMDB 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))	BDBM444473 (US10662159, Example 64) Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O Show InChI InChI=1S/C20H22FN3O5/c1-19(2)14-15(19)17(26)24(16(14)25)29-18(27)23-9-20(10-23)4-3-12(6-20)28-13-5-11(21)7-22-8-13/h5,7-8,12,14-15H,3-4,6,9-10H2,1-2H3	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))	BDBM444473 (US10662159, Example 64) Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O Show InChI InChI=1S/C20H22FN3O5/c1-19(2)14-15(19)17(26)24(16(14)25)29-18(27)23-9-20(10-23)4-3-12(6-20)28-13-5-11(21)7-22-8-13/h5,7-8,12,14-15H,3-4,6,9-10H2,1-2H3	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