BDBM50412689 CHEMBL460809

SMILES: FC(F)(F)C(=O)CSCCc1ccccc1

InChI Key: InChIKey=UJAGOKUXPHIFEB-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50412689   

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))	BDBM50412689 (CHEMBL460809) Show SMILES FC(F)(F)C(=O)CSCCc1ccccc1 Show InChI InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	6.46	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))	BDBM50412689 (CHEMBL460809) Show SMILES FC(F)(F)C(=O)CSCCc1ccccc1 Show InChI InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	120	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
Liver carboxylesterase B-1 (Rattus norvegicus)	BDBM50412689 (CHEMBL460809) Show SMILES FC(F)(F)C(=O)CSCCc1ccccc1 Show InChI InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	162	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
Carboxylesterase (Sus scrofa)	BDBM50412689 (CHEMBL460809) Show SMILES FC(F)(F)C(=O)CSCCc1ccccc1 Show InChI InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	75	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