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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 = 'BDBM50537583'   
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)		BDBM50537583
PNG
(CHEMBL4638630)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC(=Cc2c1)c1c(cnn1-c1ccncc1C)C(=O)C1C2CCCC1COC2)C(=O)NS(=O)(=O)C(C)C |c:25,THB:38:40:46.47.48:42.43.44|
Show InChI InChI=1S/C46H51N5O6S/c1-27(2)58(54,55)49-46(53)30-13-15-37-40(21-30)50-24-34(19-33-20-35(56-4)14-16-36(33)44(50)42(37)29-9-6-5-7-10-29)43-38(23-48-51(43)39-17-18-47-22-28(39)3)45(52)41-31-11-8-12-32(41)26-57-25-31/h13-23,27,29,31-32,41H,5-12,24-26H2,1-4H3,(H,49,53)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/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