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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50537576'   
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
Nonstructural protein 5A


(Hepatitis C virus)		BDBM50537576
PNG
(CHEMBL4633554)
Show SMILES C\C(=C\c1cc(-c2ccc(OCc3cc(CN4CCC(O)CC4=O)ccc3-c3ccc(cc3)C#N)cc2)n(n1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C39H40N4O5/c1-26(39(46)47)19-32-21-37(43(41-32)33-5-3-2-4-6-33)30-12-14-35(15-13-30)48-25-31-20-28(24-42-18-17-34(44)22-38(42)45)9-16-36(31)29-10-7-27(23-40)8-11-29/h7-16,19-21,33-34,44H,2-6,17-18,22,24-25H2,1H3,(H,46,47)/b26-19-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.

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