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BDBM50175988 Bz-Nle-Lys-Arg-(p-Me)Phe-H::CHEMBL199396

SMILES: [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#6])cc1)-[#6]=O

InChI Key: InChIKey=LZWBHMYCGAHSIG-KRCBVYEFSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175988   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175988
PNG
(Bz-Nle-Lys-Arg-(p-Me)Phe-H | CHEMBL199396)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#6])cc1)-[#6]=O
Show InChI InChI=1S/C35H52N8O5/c1-3-4-13-28(41-31(45)26-11-6-5-7-12-26)33(47)42-29(14-8-9-20-36)34(48)43-30(15-10-21-39-35(37)38)32(46)40-27(23-44)22-25-18-16-24(2)17-19-25/h5-7,11-12,16-19,23,27-30H,3-4,8-10,13-15,20-22,36H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Bioorg Med Chem Lett 16: 40-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.049
BindingDB Entry DOI: 10.7270/Q2J965X4
More data for this
Ligand-Target Pair