BDBM50015344 CHEMBL3264277

SMILES: CC(C)c1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1

InChI Key: InChIKey=VMZJUPSTWXJRLI-GOTSBHOMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015344   

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))	BDBM50015344 (CHEMBL3264277) Show SMILES CC(C)c1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C26H30N4O4/c1-17(2)19-9-11-21(12-10-19)20-7-5-18(6-8-20)16-34-26(33)30-13-3-4-23(30)25(32)29-22(15-27)14-24(28)31/h5-12,17,22-23H,3-4,13-14,16H2,1-2H3,(H2,28,31)(H,29,32)/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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 fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
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