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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50410032'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50410032
PNG
(CHEMBL361980)
Show SMILES COC(=O)c1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(c1)C(=O)OC
Show InChI InChI=1S/C35H34N2O6/c1-42-33(39)26-15-9-17-28(22-26)36-30(20-19-24-11-5-3-6-12-24)32(38)31(21-25-13-7-4-8-14-25)37(35(36)41)29-18-10-16-27(23-29)34(40)43-2/h3-18,22-23,30-32,38H,19-21H2,1-2H3/t30-,31-,32-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.51n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...

Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair