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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 = 'BDBM50537571'   
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)		BDBM50537571
PNG
(CHEMBL390883)
Show SMILES CC(C)N(C(C)=O)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1
Show InChI InChI=1S/C36H41FN4O5/c1-23(2)40(24(3)42)28-10-14-33(39-15-17-45-18-16-39)26(19-28)22-46-29-11-12-30(31(37)21-29)35-38-32-20-25(36(43)44)9-13-34(32)41(35)27-7-5-4-6-8-27/h9-14,19-21,23,27H,4-8,15-18,22H2,1-3H3,(H,43,44)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/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