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SMILES: CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N

InChI Key: InChIKey=UBAKCIRGHIRKCL-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510342   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Legumain


(Homo sapiens (Human))		BDBM50510342
PNG
(CHEMBL4446264)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,19(30)28-15(10-25)9-18(26)29)12-33(31,32)16-6-3-13(4-7-16)14-5-8-17(27-11-14)21(22,23)24/h3-8,11,15H,9,12H2,1-2H3,(H2,26,29)(H,28,30)/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair