BDBM50499742 CHEMBL3739853

SMILES: NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1)C#N

InChI Key: InChIKey=SJKJTQWHVGGMEM-WMZOPIPTSA-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 = 50499742   

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))	BDBM50499742 (CHEMBL3739853) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C21H20Cl2N4O4S/c22-15-6-3-13(4-7-15)14-5-8-19(17(23)10-14)32(30,31)27-9-1-2-18(27)21(29)26-16(12-24)11-20(25)28/h3-8,10,16,18H,1-2,9,11H2,(H2,25,28)(H,26,29)/t16-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	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 substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
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