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BDBM50175987 Bz-Phe-Lys-Arg-Arg-H::CHEMBL199736

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

InChI Key: InChIKey=CRKQUWSYBPTKBS-LJWNLINESA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175987   
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)
BDBM50175987
PNG
(Bz-Phe-Lys-Arg-Arg-H | CHEMBL199736)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Show InChI InChI=1S/C34H51N11O5/c35-18-8-7-16-26(44-32(50)28(21-23-11-3-1-4-12-23)45-29(47)24-13-5-2-6-14-24)31(49)43-27(17-10-20-41-34(38)39)30(48)42-25(22-46)15-9-19-40-33(36)37/h1-6,11-14,22,25-28H,7-10,15-21,35H2,(H,42,48)(H,43,49)(H,44,50)(H,45,47)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+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