BDBM50539227 CHEMBL4639527

SMILES: Cc1sc2ncnc(SCC(=O)N3CCn4c(C3)nnc4C(F)(F)F)c2c1Cl

InChI Key: InChIKey=GHDGSRAQIPEOQA-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 = 50539227   

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))	BDBM50539227 (CHEMBL4639527) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4c(C3)nnc4C(F)(F)F)c2c1Cl Show InChI InChI=1S/C15H12ClF3N6OS2/c1-7-11(16)10-12(20-6-21-13(10)28-7)27-5-9(26)24-2-3-25-8(4-24)22-23-14(25)15(17,18)19/h6H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	38	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