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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50009177'   
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
Plasma kallikrein


(Homo sapiens (Human))		BDBM50009177
PNG
(CHEMBL3238368)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2cccc(c2)S(N)(=O)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C24H27N9O5S/c1-31-18(9-15-12-28-21(30-22(15)31)23(35)29-16(11-26)5-2-3-8-25)13-33-20(34)14-32(24(33)36)17-6-4-7-19(10-17)39(27,37)38/h4,6-7,9-10,12,16H,2-3,5,8,13-14,25H2,1H3,(H,29,35)(H2,27,37,38)/t16-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikerin using H-D-Phe-Pro-Arg-pNA (S-2302) peptide as substrate assessed as reduction of enzyme hydrolytic activity

Bioorg Med Chem 22: 2339-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.002
BindingDB Entry DOI: 10.7270/Q2KH0PVJ
More data for this
Ligand-Target Pair