BDBM50539223 CHEMBL4634865

SMILES: Cc1sc2ncnc(SCC(=O)N3CN(CC(F)(F)F)C(=O)C3)c2c1Cl

InChI Key: InChIKey=GZEFMCFOTZOIMD-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 = 50539223   

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))	BDBM50539223 (CHEMBL4634865) Show SMILES Cc1sc2ncnc(SCC(=O)N3CN(CC(F)(F)F)C(=O)C3)c2c1Cl Show InChI InChI=1S/C14H12ClF3N4O2S2/c1-7-11(15)10-12(19-5-20-13(10)26-7)25-3-9(24)21-2-8(23)22(6-21)4-14(16,17)18/h5H,2-4,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.90	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