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BDBM50175991 Bz-Nle-Lys-Arg-Phg-H::CHEMBL200972

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]=O)-c1ccccc1

InChI Key: InChIKey=UPNZYRHBYCBYQG-LAJGZZDBSA-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 = 50175991   
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)
BDBM50175991
PNG
(Bz-Nle-Lys-Arg-Phg-H | CHEMBL200972)
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]=O)-c1ccccc1 |r|
Show InChI InChI=1S/C33H48N8O5/c1-2-3-17-25(38-29(43)24-15-8-5-9-16-24)30(44)39-26(18-10-11-20-34)31(45)40-27(19-12-21-37-33(35)36)32(46)41-28(22-42)23-13-6-4-7-14-23/h4-9,13-16,22,25-28H,2-3,10-12,17-21,34H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+4n/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