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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 = 'BDBM50410039'   
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)		BDBM50410039
PNG
(CHEMBL179367)
Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1cccc(c1)C#N)c1cccc(c1)C#N
Show InChI InChI=1S/C33H28N4O2/c34-22-26-13-7-15-28(19-26)36-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)37(33(36)39)29-16-8-14-27(20-29)23-35/h1-16,19-20,30-32,38H,17-18,21H2/t30-,31-,32-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 11.0n/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