BDBM50144372 CHEMBL3758668

SMILES: COc1ccc2-c3sc(cc3CCc2c1Cl)C(O)=O

InChI Key: InChIKey=HOWPBCQQSDWEAW-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 = 50144372   

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))	BDBM50144372 (CHEMBL3758668) Show SMILES COc1ccc2-c3sc(cc3CCc2c1Cl)C(O)=O Show InChI InChI=1S/C14H11ClO3S/c1-18-10-5-4-9-8(12(10)15)3-2-7-6-11(14(16)17)19-13(7)9/h4-6H,2-3H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	30	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)	BDBM50144372 (CHEMBL3758668) Show SMILES COc1ccc2-c3sc(cc3CCc2c1Cl)C(O)=O Show InChI InChI=1S/C14H11ClO3S/c1-18-10-5-4-9-8(12(10)15)3-2-7-6-11(14(16)17)19-13(7)9/h4-6H,2-3H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	23	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