BDBM50371959 CHEMBL86668

SMILES: CCCCCCCCCCC(=O)C(F)(F)F

InChI Key: InChIKey=YXTBWTOMSMZIMA-UHFFFAOYSA-N

Data: 2 KI  9 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 11 hits for monomerid = 50371959   

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))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29	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))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	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
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxylesterase 1 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
Juvenile hormone esterase (JHE) (Manduca sexta (Moths))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Manduca sexta juvenile hormone esterase				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)	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt 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 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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	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
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxylesterase 2 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
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxylesterase 1 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 (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxylesterase 2 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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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)	BDBM50371959 (CHEMBL86668) Show SMILES CCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	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