BDBM50154370 CHEMBL1689356

SMILES: Cc1sc2ncnc(SCC(O)=O)c2c1C

InChI Key: InChIKey=VSOXJMQZOPRPGI-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 50154370   

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))	BDBM50154370 (CHEMBL1689356) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay				Bioorg Med Chem Lett 26: 1525-8 (2016) BindingDB Entry DOI: 10.7270/Q26W9CZZ
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50154370 (CHEMBL1689356) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Mus musculus)	BDBM50154370 (CHEMBL1689356) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of mouse notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay				Bioorg Med Chem Lett 26: 1525-8 (2016) BindingDB Entry DOI: 10.7270/Q26W9CZZ
					More data for this Ligand-Target Pair