BDBM50539218 CHEMBL4637531

SMILES: Cc1sc2ncnc(SCC(=O)N3CC(=O)NC(C)(C)C3)c2c1Cl

InChI Key: InChIKey=JYAWXYREGCOAIJ-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 = 50539218   

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))	BDBM50539218 (CHEMBL4637531) Show SMILES Cc1sc2ncnc(SCC(=O)N3CC(=O)NC(C)(C)C3)c2c1Cl Show InChI InChI=1S/C15H17ClN4O2S2/c1-8-12(16)11-13(17-7-18-14(11)24-8)23-5-10(22)20-4-9(21)19-15(2,3)6-20/h7H,4-6H2,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	450	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