BDBM50144585 CHEMBL3759044

SMILES: OC(=O)c1cc2CCc3c(ccc(F)c3C#N)-c2s1

InChI Key: InChIKey=RVICQEAKHMLACM-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 = 50144585   

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))	BDBM50144585 (CHEMBL3759044) Show SMILES OC(=O)c1cc2CCc3c(ccc(F)c3C#N)-c2s1 Show InChI InChI=1S/C14H8FNO2S/c15-11-4-3-9-8(10(11)6-16)2-1-7-5-12(14(17)18)19-13(7)9/h3-5H,1-2H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	70	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)	BDBM50144585 (CHEMBL3759044) Show SMILES OC(=O)c1cc2CCc3c(ccc(F)c3C#N)-c2s1 Show InChI InChI=1S/C14H8FNO2S/c15-11-4-3-9-8(10(11)6-16)2-1-7-5-12(14(17)18)19-13(7)9/h3-5H,1-2H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	21	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