BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50518607'   
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))		BDBM50518607
PNG
(CHEMBL4562796)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N9O4S/c35-32(36)39-17-7-14-26(29(44)31-42-25-13-5-6-16-28(25)48-31)41-30(45)27(15-8-18-40-33(37)38)43-34(46)47-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,41,45)(H,43,46)(H4,35,36,39)(H4,37,38,40)/t26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 102n/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