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BDBM50175973 Bz-Nle-N-Me-Lys-Arg-Arg-H::CHEMBL381639

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

InChI Key: InChIKey=OQVFEVLBYQCAPN-CQJMVLFOSA-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 = 50175973   
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)
BDBM50175973
PNG
(Bz-Nle-N-Me-Lys-Arg-Arg-H | CHEMBL381639)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7](-[#6])-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-25(42-27(45)22-12-6-5-7-13-22)30(48)43(2)26(17-8-9-18-33)29(47)41-24(16-11-20-39-32(36)37)28(46)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,46)(H,41,47)(H,42,45)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.13E+5n/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