BDBM50539236 CHEMBL4632898

SMILES: OC(=O)CSc1ncnc2c(C3CC3)c(sc12)C#N

InChI Key: InChIKey=GYZFOCGTGSTZHG-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 = 50539236   

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))	BDBM50539236 (CHEMBL4632898) Show SMILES OC(=O)CSc1ncnc2c(C3CC3)c(sc12)C#N Show InChI InChI=1S/C12H9N3O2S2/c13-3-7-9(6-1-2-6)10-11(19-7)12(15-5-14-10)18-4-8(16)17/h5-6H,1-2,4H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.10	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