BDBM50144534 CHEMBL3759117

SMILES: Cc1cc(F)c2OCc3cc(sc3-c2c1)C(O)=O

InChI Key: InChIKey=JIJRYLJXEJGCKT-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 = 50144534   

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))	BDBM50144534 (CHEMBL3759117) Show SMILES Cc1cc(F)c2OCc3cc(sc3-c2c1)C(O)=O Show InChI InChI=1S/C13H9FO3S/c1-6-2-8-11(9(14)3-6)17-5-7-4-10(13(15)16)18-12(7)8/h2-4H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	35	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)	BDBM50144534 (CHEMBL3759117) Show SMILES Cc1cc(F)c2OCc3cc(sc3-c2c1)C(O)=O Show InChI InChI=1S/C13H9FO3S/c1-6-2-8-11(9(14)3-6)17-5-7-4-10(13(15)16)18-12(7)8/h2-4H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	18	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