BDBM180039 US9133148, 9ad

SMILES: FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F

InChI Key: InChIKey=JLXNYQYXQCEKRB-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 = 180039   

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
Anandamide amidohydrolase (Mus musculus (mouse))	BDBM180039 (US9133148, 9ad) Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	37
The Scripps Research Institute; Abide Therapeutics, Inc. US Patent					Assay Description Proteomes (mouse brain membrane fraction or cell lysates) (50 uL, 1.0 mg/mL total protein concentration) were preincubated with varying concentration...				US Patent US9133148 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PR0
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM180039 (US9133148, 9ad) Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM180039 (US9133148, 9ad) Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM180039 (US9133148, 9ad) Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair