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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 = 'BDBM50537577'   
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)		BDBM50537577
PNG
(CHEMBL4639473)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)C1CCCCC1 |r|
Show InChI InChI=1S/C32H30N4O4/c37-23-12-14-25-24(17-23)22(18-33-25)16-28(32(39)40)36-31(38)21-11-13-26-27(15-21)35-30(20-9-5-2-6-10-20)29(34-26)19-7-3-1-4-8-19/h1,3-4,7-8,11-15,17-18,20,28,33,37H,2,5-6,9-10,16H2,(H,36,38)(H,39,40)/t28-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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 V106A

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