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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 = 'BDBM50537578'   
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)		BDBM50537578
PNG
(CHEMBL245328)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5cc(ccc5N5CCOCC5)N5CCCC5=O)cc4OCCn3c2c1
Show InChI InChI=1S/C38H41N3O6/c42-35-7-4-14-40(35)28-9-13-32(39-15-18-45-19-16-39)27(21-28)24-47-29-10-12-31-34(23-29)46-20-17-41-33-22-26(38(43)44)8-11-30(33)36(37(31)41)25-5-2-1-3-6-25/h8-13,21-23,25H,1-7,14-20,24H2,(H,43,44)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type 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