BDBM50399282 CHEMBL2180817::US9102622, 13.4

SMILES: FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=XWMLTTOAYSGFCX-UHFFFAOYSA-N

Data: 3 KI  2 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 = 50399282   

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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50399282 (CHEMBL2180817 | US9102622, 13.4) Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	15	-11.1	180	n/a	n/a	n/a	n/a	n/a	37
University of Connecticut US Patent					Assay Description All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of ...				US Patent US9102622 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G20
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50399282 (CHEMBL2180817 | US9102622, 13.4) Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates				J Med Chem 55: 10074-89 (2012) Article DOI: 10.1021/jm301205j BindingDB Entry DOI: 10.7270/Q2J967HK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50399282 (CHEMBL2180817 | US9102622, 13.4) Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells				J Med Chem 55: 10074-89 (2012) Article DOI: 10.1021/jm301205j BindingDB Entry DOI: 10.7270/Q2J967HK
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50399282 (CHEMBL2180817 | US9102622, 13.4) Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of recombinant human hexahistidine-tagged MGL expressed in Escherichia coli using AHMMCE as substrate after 15 mins by medium throughput f...				J Med Chem 55: 10074-89 (2012) Article DOI: 10.1021/jm301205j BindingDB Entry DOI: 10.7270/Q2J967HK
					More data for this Ligand-Target Pair