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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Suppressor of tumorigenicity 14 protein' and Ligand = 'BDBM50518609'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50518609
PNG
(CHEMBL4571215)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O4S/c34-32(35)36-17-7-14-26(29(40)31-38-25-13-5-6-16-28(25)44-31)37-30(41)27-15-8-18-39(27)33(42)43-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,37,41)(H4,34,35,36)/t26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...

J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair