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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50522785'   
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
Genome polyprotein


(Dengue virus 2)		BDBM50522785
PNG
(CHEMBL4563546)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H40N8O4/c1-36(27(40)20-13-6-3-7-14-20)22(16-10-18-33-28(31)32)26(39)34-21(15-8-9-17-29)25(38)35-23(24(30)37)19-11-4-2-5-12-19/h2-7,11-14,21-23H,8-10,15-18,29H2,1H3,(H2,30,37)(H,34,39)(H,35,38)(H4,31,32,33)/t21-,22-,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...

Bioorg Med Chem Lett 29: 1913-1917 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.054
BindingDB Entry DOI: 10.7270/Q2T15723
More data for this
Ligand-Target Pair