BDBM50412692 CHEMBL460807

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

InChI Key: InChIKey=OLWUZZLDMIIGAL-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50412692   

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
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50412692 (CHEMBL460807) Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 1 after 24 hrs				Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50412692 (CHEMBL460807) Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 1 after 5 mins				Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50412692 (CHEMBL460807) Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Davis Curated by ChEMBL					Assay Description Inhibition of Sus scrofa (pig) carboxylesterase isolated from liver in using p-nitrophenyl acetate as substrate incubated for 5 min prior to substrat...				Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT
					More data for this Ligand-Target Pair
Juvenile hormone esterase, isoform B (Trichoplusia ni)	BDBM50412692 (CHEMBL460807) Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Davis Curated by ChEMBL					Assay Description Inhibition of Trichoplusia ni (cabbage looper) juvenile hormone esterase isolated from fifth-intsar larval stage using [3H]JH 3 as substrate incubate...				Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT
					More data for this Ligand-Target Pair
Liver carboxylesterase B-1 (Rattus norvegicus)	BDBM50412692 (CHEMBL460807) Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Davis Curated by ChEMBL					Assay Description Inhibition of carboxylesterase in Fischer 344 Rattus norvegicus (rat) liver microsomes using p-nitrophenyl acetate as substrate incubated for 5 min p...				Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT
					More data for this Ligand-Target Pair