BDBM50134282 CHEMBL3745937

SMILES: CC(N(Cc1ccc(cc1)-c1cccc(Cl)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N

InChI Key: InChIKey=MRRLKMSYZWBUJJ-PKDNWHCCSA-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 = 50134282   

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))	BDBM50134282 (CHEMBL3745937) Show SMILES CC(N(Cc1ccc(cc1)-c1cccc(Cl)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H23ClN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-6-8-16(9-7-15)17-4-3-5-18(22)10-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	425	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-MCA as substrate preincubated with protein followed by substrate addition measured every...				Bioorg Med Chem Lett 26: 413-6 (2016) BindingDB Entry DOI: 10.7270/Q2FB54TD
					More data for this Ligand-Target Pair