BDBM50371960 CHEMBL155621

SMILES: CCCCCCS(=O)(=O)CC(=O)C(F)(F)F

InChI Key: InChIKey=MAGOHNFKWBKUKQ-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 = 50371960   

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 (Homo sapiens (Human))	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH after 15 mins				Bioorg Med Chem 16: 2114-30 (2008) Article DOI: 10.1016/j.bmc.2007.10.081 BindingDB Entry DOI: 10.7270/Q2K938DT
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase after 5 mins				Bioorg Med Chem 16: 2114-30 (2008) Article DOI: 10.1016/j.bmc.2007.10.081 BindingDB Entry DOI: 10.7270/Q2K938DT
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase after 15 mins				Bioorg Med Chem 16: 2114-30 (2008) Article DOI: 10.1016/j.bmc.2007.10.081 BindingDB Entry DOI: 10.7270/Q2K938DT
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Mus musculus)	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of carboxylesterase in murine liver microsomes.				J Med Chem 45: 5576-93 (2002) BindingDB Entry DOI: 10.7270/Q2DN4671
					More data for this Ligand-Target Pair
CG8425-PA [Drosophila melanogaster] (Drosophila melanogaster)	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro inhibition of Trichoplusia Juvenile Hormone Esterase.				J Med Chem 45: 5576-93 (2002) BindingDB Entry DOI: 10.7270/Q2DN4671
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro inhibition of porcine carboxylesterase.				J Med Chem 45: 5576-93 (2002) BindingDB Entry DOI: 10.7270/Q2DN4671
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46.8	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro inhibition of carboxylesterase in human liver microsomes.				J Med Chem 45: 5576-93 (2002) BindingDB Entry DOI: 10.7270/Q2DN4671
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50371960 (CHEMBL155621) Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH after 5 mins				Bioorg Med Chem 16: 2114-30 (2008) Article DOI: 10.1016/j.bmc.2007.10.081 BindingDB Entry DOI: 10.7270/Q2K938DT
					More data for this Ligand-Target Pair