BDBM50539242 CHEMBL4636078

SMILES: Cc1oc2ncnc(SCC(O)=O)c2c1C

InChI Key: InChIKey=GVSJMIJIAQKDRO-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50539242   

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))	BDBM50539242 (CHEMBL4636078) Show SMILES Cc1oc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O3S/c1-5-6(2)15-9-8(5)10(12-4-11-9)16-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	50	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