Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50030468' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Genome polyprotein
(Dengue virus 2) | BDBM50030468
(CHEMBL3344306)Show SMILES Cc1cccc(C)c1-n1c2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n(-c3c(C)cccc3C)c(=O)c2sc1=S |(32.55,-8.78,;33.58,-9.93,;33.1,-11.39,;34.13,-12.54,;35.64,-12.21,;36.11,-10.75,;37.62,-10.43,;35.09,-9.61,;35.56,-8.15,;37.03,-7.67,;38.36,-8.44,;39.7,-7.67,;41.03,-8.44,;41.04,-9.98,;42.37,-10.75,;42.36,-12.28,;43.7,-13.05,;43.7,-14.59,;45.03,-12.28,;46.37,-13.04,;47.71,-12.26,;49.04,-13.03,;47.69,-10.71,;46.35,-9.95,;45.02,-10.73,;43.69,-9.97,;39.69,-6.12,;41.02,-5.35,;41.01,-3.82,;39.67,-3.05,;42.33,-3.04,;43.68,-3.8,;43.68,-5.34,;42.35,-6.12,;42.36,-7.66,;38.36,-5.36,;38.35,-3.82,;37.03,-6.13,;35.57,-5.66,;34.66,-6.9,;33.12,-6.9,)| Show InChI InChI=1S/C30H24ClN5O2S3/c1-16-7-5-8-17(2)24(16)35-27-26(41-30(35)39)28(38)36(25-18(3)9-6-10-19(25)4)29(33-27)40-15-21-13-23(37)34-14-20(31)11-12-22(34)32-21/h5-14H,15H2,1-4H3 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal
Curated by ChEMBL
| Assay Description
Inhibition of dengue virus NS2B-NS3 protease |
Eur J Med Chem 87: 677-702 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.010
BindingDB Entry DOI: 10.7270/Q2WW7K9C |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50030468
(CHEMBL3344306)Show SMILES Cc1cccc(C)c1-n1c2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n(-c3c(C)cccc3C)c(=O)c2sc1=S |(32.55,-8.78,;33.58,-9.93,;33.1,-11.39,;34.13,-12.54,;35.64,-12.21,;36.11,-10.75,;37.62,-10.43,;35.09,-9.61,;35.56,-8.15,;37.03,-7.67,;38.36,-8.44,;39.7,-7.67,;41.03,-8.44,;41.04,-9.98,;42.37,-10.75,;42.36,-12.28,;43.7,-13.05,;43.7,-14.59,;45.03,-12.28,;46.37,-13.04,;47.71,-12.26,;49.04,-13.03,;47.69,-10.71,;46.35,-9.95,;45.02,-10.73,;43.69,-9.97,;39.69,-6.12,;41.02,-5.35,;41.01,-3.82,;39.67,-3.05,;42.33,-3.04,;43.68,-3.8,;43.68,-5.34,;42.35,-6.12,;42.36,-7.66,;38.36,-5.36,;38.35,-3.82,;37.03,-6.13,;35.57,-5.66,;34.66,-6.9,;33.12,-6.9,)| Show InChI InChI=1S/C30H24ClN5O2S3/c1-16-7-5-8-17(2)24(16)35-27-26(41-30(35)39)28(38)36(25-18(3)9-6-10-19(25)4)29(33-27)40-15-21-13-23(37)34-14-20(31)11-12-22(34)32-21/h5-14H,15H2,1-4H3 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal
Curated by ChEMBL
| Assay Description
Inhibition of dengue virus NS2B-NS3 protease |
Eur J Med Chem 87: 677-702 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.010
BindingDB Entry DOI: 10.7270/Q2WW7K9C |
More data for this
Ligand-Target Pair | |
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