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BDBM50175858 Bz-Nle-Lys-Arg-Arg-NHSO2CF3::CHEMBL369917

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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]S(=O)(=O)C(F)(F)F

InChI Key: InChIKey=XGJGUPXMOJOGRZ-ZJZGAYNASA-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 = 50175858   
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)
BDBM50175858
PNG
(Bz-Nle-Lys-Arg-Arg-NHSO2CF3 | CHEMBL369917)
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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C32H53F3N12O7S/c1-2-3-13-21(43-25(48)20-11-5-4-6-12-20)26(49)44-22(14-7-8-17-36)27(50)45-23(15-9-18-41-30(37)38)28(51)46-24(16-10-19-42-31(39)40)29(52)47-55(53,54)32(33,34)35/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair