BDBM50510337 CHEMBL4545652

SMILES: Cn1ncc2cccc(-c3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N)c12

InChI Key: InChIKey=MJZBKUCPUSBGLA-KRWDZBQOSA-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 = 50510337   

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))	BDBM50510337 (CHEMBL4545652) Show SMILES Cn1ncc2cccc(-c3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N)c12 |r| Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-17(12-24)11-20(25)29)14-33(31,32)18-9-7-15(8-10-18)19-6-4-5-16-13-26-28(3)21(16)19/h4-10,13,17H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	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