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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50522787   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Dengue virus 2)
BDBM50522787
PNG
(CHEMBL4464884)
Show SMILES CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...


Bioorg Med Chem Lett 29: 1913-1917 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.054
BindingDB Entry DOI: 10.7270/Q2T15723
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50522787
PNG
(CHEMBL4464884)
Show SMILES CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.43E+4n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...


Bioorg Med Chem Lett 29: 1913-1917 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.054
BindingDB Entry DOI: 10.7270/Q2T15723
More data for this
Ligand-Target Pair