BDBM50539245 CHEMBL4632460

SMILES: CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(C)c12

InChI Key: InChIKey=UZESDYPWYKTGHP-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 50539245   

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))	BDBM50539245 (CHEMBL4632460) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(C)c12 Show InChI InChI=1S/C14H16N4O2S2/c1-8-9(2)22-14-12(8)13(15-6-16-14)21-5-11(20)18-4-10(19)17(3)7-18/h6H,4-5,7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of NOTUM (unknown origin) transfected in human HEK293T cells harbouring TCF/LEF luciferase reporter gene assessed as activation of Wnt sig...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539245 (CHEMBL4632460) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(C)c12 Show InChI InChI=1S/C14H16N4O2S2/c1-8-9(2)22-14-12(8)13(15-6-16-14)21-5-11(20)18-4-10(19)17(3)7-18/h6H,4-5,7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.40	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