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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50518593'   
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
Serine protease hepsin


(Homo sapiens (Human))		BDBM50518593
PNG
(CHEMBL4467638)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O6S/c34-32(35)36-17-7-13-25(29(42)31-38-24-12-5-6-14-27(24)46-31)37-30(43)26(15-16-28(40)41)39-33(44)45-18-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-6,8-12,14,23,25-26H,7,13,15-18H2,(H,37,43)(H,39,44)(H,40,41)(H4,34,35,36)/t25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 372n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...

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