BDBM50144380 CHEMBL3759074

SMILES: Cc1cc(F)c2CCc3cc(sc3-c2c1F)C(O)=O

InChI Key: InChIKey=CMIADAYCWYPFKD-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 = 50144380   

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))	BDBM50144380 (CHEMBL3759074) Show SMILES Cc1cc(F)c2CCc3cc(sc3-c2c1F)C(O)=O Show InChI InChI=1S/C14H10F2O2S/c1-6-4-9(15)8-3-2-7-5-10(14(17)18)19-13(7)11(8)12(6)16/h4-5H,2-3H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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)	BDBM50144380 (CHEMBL3759074) Show SMILES Cc1cc(F)c2CCc3cc(sc3-c2c1F)C(O)=O Show InChI InChI=1S/C14H10F2O2S/c1-6-4-9(15)8-3-2-7-5-10(14(17)18)19-13(7)11(8)12(6)16/h4-5H,2-3H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	6	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