BDBM50539235 CHEMBL4641272

SMILES: Cc1c(sc2ncnc(SCC(O)=O)c12)C#N

InChI Key: InChIKey=NVKVJSDEOQYKAK-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50539235   

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))	BDBM50539235 (CHEMBL4641272) Show SMILES Cc1c(sc2ncnc(SCC(O)=O)c12)C#N Show InChI InChI=1S/C10H7N3O2S2/c1-5-6(2-11)17-10-8(5)9(12-4-13-10)16-3-7(14)15/h4H,3H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	25	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