BDBM50144549 CHEMBL3758291

SMILES: OC(=O)c1cc2CSc3c(F)c(F)c(F)cc3-c2s1

InChI Key: InChIKey=FJWDTAJDIBOAHI-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50144549   

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
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50144549 (CHEMBL3758291) Show SMILES OC(=O)c1cc2CSc3c(F)c(F)c(F)cc3-c2s1 Show InChI InChI=1S/C12H5F3O2S2/c13-6-2-5-10-4(1-7(19-10)12(16)17)3-18-11(5)9(15)8(6)14/h1-2H,3H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay				Bioorg Med Chem Lett 26: 1184-7 (2016) BindingDB Entry DOI: 10.7270/Q2QV3PBN
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Mus musculus)	BDBM50144549 (CHEMBL3758291) Show SMILES OC(=O)c1cc2CSc3c(F)c(F)c(F)cc3-c2s1 Show InChI InChI=1S/C12H5F3O2S2/c13-6-2-5-10-4(1-7(19-10)12(16)17)3-18-11(5)9(15)8(6)14/h1-2H,3H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of mouse notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay				Bioorg Med Chem Lett 26: 1184-7 (2016) BindingDB Entry DOI: 10.7270/Q2QV3PBN
					More data for this Ligand-Target Pair