BDBM50510335 CHEMBL4588754

SMILES: CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1)C(=O)N[C@@H](CC(N)=O)C#N

InChI Key: InChIKey=GEAANUBSLXVHSU-HNNXBMFYSA-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 = 50510335   

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
Legumain (Homo sapiens (Human))	BDBM50510335 (CHEMBL4588754) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C20H21FN4O4S/c1-20(2,19(27)25-15(10-22)9-18(23)26)12-30(28,29)16-6-3-13(4-7-16)14-5-8-17(21)24-11-14/h3-8,11,15H,9,12H2,1-2H3,(H2,23,26)(H,25,27)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019
					More data for this Ligand-Target Pair