BDBM50539211 CHEMBL4642915

SMILES: Clc1sc2c(SCC(=O)N3CNC(=O)C3)ncnc2c1C1CC1

InChI Key: InChIKey=UDCRACJXCRXUNB-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 = 50539211   

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))	BDBM50539211 (CHEMBL4642915) Show SMILES Clc1sc2c(SCC(=O)N3CNC(=O)C3)ncnc2c1C1CC1 Show InChI InChI=1S/C14H13ClN4O2S2/c15-13-10(7-1-2-7)11-12(23-13)14(17-5-16-11)22-4-9(21)19-3-8(20)18-6-19/h5,7H,1-4,6H2,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	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