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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 = 'BDBM50512105'   
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))		BDBM50512105
PNG
(CHEMBL4587327)
Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r|
Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.270n/an/an/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay

Eur J Med Chem 170: 237-260 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.024
BindingDB Entry DOI: 10.7270/Q2X92FNR
More data for this
Ligand-Target Pair