BDBM50539233 CHEMBL4642625

SMILES: Cc1c(sc2ncnc(SCC(O)=O)c12)C(F)(F)F

InChI Key: InChIKey=MRCANBDDAJRLAL-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 = 50539233   

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))	BDBM50539233 (CHEMBL4642625) Show SMILES Cc1c(sc2ncnc(SCC(O)=O)c12)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O2S2/c1-4-6-8(18-2-5(16)17)14-3-15-9(6)19-7(4)10(11,12)13/h3H,2H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1	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