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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50537569'   
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/Non-structural protein 4A


(Hepatitis C virus)
BDBM50537569
PNG
(CHEMBL4646328)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)C)C(=O)N[C@@H](CC(F)(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O |r|
Show InChI InChI=1S/C27H36ClF3N4O9/c1-13(2)9-18(33-24(40)19(11-21(36)37)35-26(43)44-14(3)4)23(39)34-20(12-27(29,30)31)22(38)32-8-7-15-5-6-16(25(41)42)10-17(15)28/h5-6,10,13-14,18-20H,7-9,11-12H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)(H,35,43)(H,36,37)(H,41,42)/t18-,19-,20-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
600n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


Eur J Med Chem 164: 576-601 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.045
BindingDB Entry DOI: 10.7270/Q2RR224D
More data for this
Ligand-Target Pair