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SMILES: CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N

InChI Key: InChIKey=UUHDHVLJTZIDJZ-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510338   
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))		BDBM50510338
PNG
(CHEMBL4442344)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H22F3N3O4S/c1-21(2,20(30)28-15(12-26)11-19(27)29)13-33(31,32)16-9-7-14(8-10-16)17-5-3-4-6-18(17)22(23,24)25/h3-10,15H,11,13H2,1-2H3,(H2,27,29)(H,28,30)/t15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/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
More data for this
Ligand-Target Pair