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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 = 'BDBM50518600'   
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))		BDBM50518600
PNG
(CHEMBL4455095)
Show SMILES C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O5S/c1-18(39)27(38-32(42)43-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)29(41)36-25(14-8-16-35-31(33)34)28(40)30-37-24-13-6-7-15-26(24)44-30/h2-7,9-13,15,18,23,25,27,39H,8,14,16-17H2,1H3,(H,36,41)(H,38,42)(H4,33,34,35)/t18-,25+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 271n/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