BDBM50510320 CHEMBL4452627

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

InChI Key: InChIKey=XJJYQRYIFBUHRL-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 = 50510320   

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))	BDBM50510320 (CHEMBL4452627) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-9-5-15(6-10-18)14-3-7-16(22)8-4-14/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/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	7.10	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